Appman

SimSci
352,, .
$SSOLFDWLRQ%ULHIV
May 2014
All rights reserved. No part of this documentation shall be reproduced, stored in a retrieval system, or
transmitted by any means, electronic, mechanical, photocopying, recording, or otherwise, without the
prior written permission of Invensys Systems, Inc. No copyright or patent liability is assumed with
respect to the use of the information contained herein. Although every precaution has been taken in the
preparation of this documentation, the publisher and the author assume no responsibility for errors or
omissions. Neither is any liability assumed for damages resulting from the use of the information
contained herein.
The information in this documentation is subject to change without notice and does not represent a
commitment on the part of Invensys Systems, Inc. The software described in this documentation is
furnished under a license or nondisclosure agreement. This software may be used or copied only in
accordance with the terms of these agreements.
2014 by Invensys Systems, Inc. All rights reserved.
Invensys Systems, Inc.

26561 Rancho Parkway South
Lake Forest, CA 92630 U.S.A.
(949) 727-3200
http://www.simsci.com/
For comments or suggestions about the product documentation, send an e-mail message to
ProductDocumentationComments@invensys.com.
All terms mentioned in this documentation that are known to be trademarks or service marks have been
appropriately capitalized. Invensys Systems, Inc. cannot attest to the accuracy of this
information. Use of a term in this documentation should not be regarded as affecting the validity of any
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plc, its subsidiaries and affiliates.
Table of Contents
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Section 1: Gas Processing
G1 - Phase Envelope
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-1
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-1
Simulation Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-1
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-2
Keyword Input File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-5
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-5
Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-7
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-7
G2 - DeEthanizer
Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-9
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-10
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-10
Simulation Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-10
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-11
Keyword Input File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-16
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-17
Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-17
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-17
G3 - Refrigeration Loop
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-21
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-22
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-23
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-31
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-32
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-32
G4 - Compressor Train
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-35
PRO/II Application Briefs ToC - i

Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-36
Simulation Model. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-37
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-37
Keyword Input File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-40
Results & Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-41
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-42
G5 - Expander Plant
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-45
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-46
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-47
Keyword Input. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-50
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-52
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-52
G6 - Three Stage Let-Down

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-57
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-58
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-60
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-65
Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-65
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-65
G7 - Gas De-Hydration Using TEG

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-71
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-72
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-74
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-81
Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-81
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-81
G8 - Gas Sweetening Using Amines

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-87
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-89
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1-91
ToC - ii May 2014

Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-97
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-98
G9 - Steam Power Generation Loop

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-104
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-105
Simulation Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-106
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-109
Keyword Input File . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-113
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-115
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-115
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1-115
Section 2: Refining
R1 - Crude Heating Curve
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-119
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-120
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-121
Keyword Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-126
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-126
R2 - De-IsoButanizer Tower
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-129
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-130
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-130
Keyword Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-137
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-138
R2A - DeIsoButanizer Revamp

R2A Process Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-144
R2A Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-145
R2A Keyword Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-145
R2A Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-146
R2B Process Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-147
R2B Keyword Input File . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-147
R2B Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-148
R2C Process Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-150
PRO/II Application Briefs ToC - iii

R2C Keyword Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-151
R2C Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-152
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-153
R3S - Shortcut Crude Oil Distillation

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-1
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-2
Simulation Model. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-3
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-5
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-11
R3R - Rigorous Crude Oil Distillation Revamp

Simulation Model (Rigorous) . . . . . . . . . . . . . . . . . . . . . . . . . . 2-13
Input Data Rigorous . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-15
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-22
Output (Rigorous) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-23
R4 - Vacuum Column
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-34
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-35
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-36
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-44
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-44
R5 - FCC Main Fractionator

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-51
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-53
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-55
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-66
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-67
R6 - Sour Water Stripper

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-75
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2-76
ToC - iv May 2014

Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-77
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-78
Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-79
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-79
R6A - Caustic Addition to R6

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-84
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-84
Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-84
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-89
R7 - Naphtha Stream Stabilizer

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-93
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-93
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-94
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-97
R7A - Stabilizer Optimization

Input . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-100
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-101
R8 - Naphtha Splitter
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-106
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-107
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-107
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-114
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-114
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .2-114
Section 3: PetroChemicals
P1 - C3 Splitter
ProcessData . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-2
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-3
PRO/II Application Briefs ToC - v

SimulationModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-3
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-4
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-5
P2 - Aromatics Separation
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-8
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-8
Simulation Model. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-8
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-9
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-10
P3 - Ethylene Fractionator
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-13
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-16
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-18
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-20
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-21
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-21
P4 - Cyclohexane Plant
ProcessData . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-31
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-33
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-35
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-39
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-39
P5 - Naphthalene Recovery
ProcessData . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-47
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-48
SimulationModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-49
Input Data (Shortcut) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-49
Output (Shortcut) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-50
Input Data (Rigorous) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-55
Output (Rigorous) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-57
P6 - MTBE Separation
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-62
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3-62
ToC - vi May 2014

Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-63
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-64
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-64
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-64
P7 - Propylene Chlorination
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-69
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-70
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-72
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-75
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-75
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-75
Use of Gibbs Reactor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-82
Gibbs Reactor Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3-82
Section 4: Chemical
C1 - Dryer Column
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-88
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-88
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-89
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-90
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-91
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-91
C2 - Ammonia-Acetone-Water Separation
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-96
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-96
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-97
C3 - Water Removal from MEK-Toluene

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-103
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-104
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-105
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-106
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .4-106
PRO/II Application Briefs ToC - vii

C4 - Azeotropic Separation
ProcessData . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-114
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-114
Simulation Model. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-115
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-115
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-116
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-117
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-117
C5 - Phenol Extraction Plant

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-123
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-123
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-125
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-127
C6- Decant Column

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-134
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-134
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-135
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-137
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-137
C7 - Shift and Methanator Reactors

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-141
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-142
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-143
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-144
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-144
C8 - Non-ideal Chemical Separation

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-150
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-152
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-153
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-153
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4-154
Section 5: Solids
ToC - viii May 2014
S1 - p-Xylene Crystalization
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-161
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-162
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-164
Result. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-166
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5-167
Section 6: Advanced
A1 - Cascade Refrigeration
ProcessData . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-178
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-178
SimulationModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-178
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-179
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-182
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-182
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-182
A2 - Phenol Distillation
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-191
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-193
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-193
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-196
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-196
A3 - HDS Reactor Section

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-203
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-207
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-208
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-210
Output . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-211
A4 - Turbo-Expander Gas Plant Optimization

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-222
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-224
Input Data. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-227
Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6-232
PRO/II Application Briefs ToC - ix

Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-232
A5 - H2SO4 Alkylation
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-245
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-247
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-248
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-259
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-260
A6 - Ammonia Synthesis
Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-270
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-271
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-280
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-281
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-281
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-282
A7 - MTBE Synthesis-reactive Distillation

Process Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-292
Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-293
SimulationMethods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-293
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-294
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-297
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-297
A8 - Air Separation Plant

Methods and Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-305
Input Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-306
Results. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-309
Conclusions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-310
Output. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6-310
Section 7: Specialty
S1 - Upstream Calculations
Upstream Gas-Oil Ratio Calculations . . . . . . . . . . . . . . . . . . 7-321
Upstream Liquid Dropout Calculations . . . . . . . . . . . . . . . . 7-325
Upstream Relative Volume Calculations. . . . . . . . . . . . . . . . 7-329
ToC - x May 2014

Constant Volume Depletion . . . . . . . . . . . . . . . . . . . . . . . . . .7-333
Section 8: Bio Process

B1_Biodiesel_Process
Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-339
Chemistry Involved . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-339
Process Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8-340
Raw Material Characterization . . . . . . . . . . . . . . . . . . . . . . .8-342
Process Simulation Details . . . . . . . . . . . . . . . . . . . . . . . . . . .8-346
B2_Bioethanol_Process
Problem Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-359
Overview of Solution . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-360
Implementation Details . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-361
PRO/II Application Briefs ToC - xi

ToC - xii May 2014
PRO/II Application Briefs
Introduction
This manual contains Application Briefs illustrating the use of the
PRO/II simulation program to solve a wide range fo typical
industrial mass and energy balance problems. It is intended as a
compliment to the PRO/II Keyword Input Manual and the PRO/II
User Guide. It provides a reference source for detailed examples of
PRO/II features and output options.
For conveninece, the Application Briefs are divided into several
sections: Gas Processing, Refining, Petrochemical, Chemical,
Advanced, and Solids. The Table of Contents lists the applications
in each section. The Index of Features is a cross-reference of the
PRO/II features illustrated by each application.
Each application includes: a description of the process and
flowsheet, a discussion of the simulation model, samples of data
entry through the Graphical User Interface (GUI), and comments
on the results. Also included are a complete keyword listing of the
simulation input data and reprints of selected sections of the output
report of results.
Figure 1-1: The applications presented in this document are only

examples that should not be used for other purposes. While the
applications presented here are based upon actual cases, they may
not always be typical, and the data being used may not be the most
accurate
1
2 May 2014
Section 1: Gas Processing

G1 - Phase Envelope
A high pressure natural gas stream is being transported through a
pipeline. You need to establish whether liquid will dropout during a
cold winter, and, if so, what you must do to prevent it.
The first step is to determine the conditions under which liquid will
appear. The easiest way to do this is to produce a phase envelope for
the gas mixture and examine the boundary of the two phase region.
Process Data
Table G1 shows the composition of the gas stream. No additional
data are required to solve this problem.
Table G1: Gas Stream Composition
Component mole % Component mole %

Nitrogen 1.40 N-butane 0.44
Methane 94.30 N-pentane 0.37
Ethane 2.60 N-hexane 0.21
Propane 0.68
Methods and Data

The phase envelope will solve using either Soave-Redlich-Kwong
(SRK) or Peng-Robinson (PR) for the equilibrium and enthalpy
calculations. This example uses SRK.
Simulation Model
Phase envelopes may be generated for any flowsheet stream
whether it is a defined feed stream or the product stream from a unit
operation. The phase envelope is a function of only the stream
composition.
All you need to do to generate the complete envelope is to select the
stream. No initial estimates are required. The critical point,
cricondentherm, and cricondenbar will be calculated.
G1 - Phase Envelope 1-1

Input Data
The program uses English units (default) for all the parameters.
Click Component to view the SIMSCI - Component Selection
dialog box. Select the components from the available databanks.
Figure G1: Component Selection
Click Thermodynamics on the toolbar. Click Modify... to

view the Thermodynamic Data - Modification dialog box and select
Soave-Redlich-Kwong thermodynamic method for equilibrium and
enthalpy calculations as shown in Figure G2.
1-2 Gas Processing G1 - Phase Envelope

Figure G2: Thermodynamic Data - Modification
Lay down the gas stream and the phase envelope for the gas
mixture. To enter the details of the gas stream as shown in Table
G1, double-click stream 1. When the Stream Data dialog box
appears, click the Flowrate and Composition button and enter the
details. See Figure G3.

Figure G3: Stream Data
The temperature and pressure of the stream must be entered, but

they are not used in generating the phase envelope.
To generate the phase diagram of the stream, double-click the phase
diagram icon on the flowsheet. The Phase Envelope dialog box is
displayed. Select the stream from the drop-down list whose phase
diagram is required (in this case stream 1). Alternately, you can
generate curves for stream 1 with constant liquid mole fractions
(0.05 and 0.01). See Figure G4. The constant liquid fraction curves
are superimposed on the envelope.

Figure G4: Phase Envelope
Keyword Input File

TITLE PROBLEM=G1,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=NOV91
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,NC4/6,NC5/7,NC6 &
, BANK = SIMSCI, PROCESS
THERMODYNAMIC DATA
METHOD SYSTEM=SRK
STREAM DATA
PROP STREAM=1,TEMP=1,PRESS=1,&
COMP=1.4/94.3/2.6/0.68/0.44/0.37/0.21
UNIT OPERATION
PHASE UID=PHS1
EVALUATE STREAM=1
EVALUATE STREAM=1,LFRACT=0.05
EVALUATE STREAM=1,LFRACT=0.01
END
Results
To view the phase envelope curve of the stream, run the simulation
and select Phase Envelope from the Tools menu. Select the stream
from the drop-down list.

Figure G5: Phase Envelope Hot Key.
The following plot was generated from the simulation run in PRO/II
with PROVISION.
Figure G6: Phase Envelope Curve

Conclusion
If temperatures below 28 F are possible, condensation could occur
in parts of the pipeline which are exposed to the atmosphere.
You will need to study the specific pipeline further to establish
whether heaters are required or if insulation will be sufficient.
Alternatively, you might consider removing more of the heavier
components in the gas treatment before the gas enters the pipeline.
Output
The plot shows the envelope with the lines of constant liquid
fraction at 1% and 5% superimposed on it. If you could accept up to
1% liquid in your line, there would be no problem unless the
temperature falls below -19 F.
Click the Generate Reports button on the toolbar. The tabular
temperature and pressure points for the phase envelope are printed,
and the critical point is identified. Similar tables are available for
the lines of constant liquid fraction.
PHASE ENVELOPE TABULAR OUTPUT

UNIT 1, 'PHS1'
SET 1, STREAM '1'
F PSIA
CRICONDENTHERM 28.45 606.9
CRICONDENBAR -27.42 1328.6
CRITICAL POINT -95.15 853.1
MAX. TEMP AND PRES 28.45 1328.6
TEMP PRES TEMP PRES

F PSIA F PSIA
-------- -------- -------- --------
1 DEW PT -51.30 14.7 41 DEW PT -77.30 1065.8
2 DEW PT -51.08 14.8 42 DEW PT -82.61 1008.9
3 DEW PT -39.91 24.2 43 DEW PT -83.39 1000.1
4 DEW PT -21.82 51.3 44 DEW PT -88.94 934.4
5 DEW PT -10.53 80.5 45 DEW PT -94.02 868.7
6 DEW PT -1.77 114.2 46 DEW PT -94.20 866.4
7 DEW PT 4.36 146.2 47 DEW PT -96.97 828.9
8 DEW PT 13.11 211.9 48 DEW PT -96.97 828.9
9 DEW PT 17.07 254.1 49 DEW PT -96.96 829.0
10 DEW PT 18.89 277.6 50 DEW PT -95.82 844.1
11 DEW PT 22.90 343.3 51 DEW PT -94.64 858.8
12 DEW PT 25.58 408.9 52 DEW PT -94.58 859.5
13 DEW PT 27.26 474.6 53 DEW PT -94.58 859.5
14 DEW PT 28.16 540.3 54 CRITICAL -95.15 853.1
15 DEW PT 28.34 565.4 55 BBL PT -95.74 846.6
16 DEW PT 28.45 606.0 56 BBL PT -97.36 829.5
17 MAX TEMP 28.45 606.9 57 BBL PT -99.91 803.2

18 DEW PT 28.17 671.7 58 BBL PT -99.92 803.0
19 DEW PT 27.32 737.4 59 BBL PT -104.59 756.0
20 DEW PT 25.92 803.0 60 BBL PT -106.48 737.4
21 DEW PT 24.80 843.5 61 BBL PT -112.99 674.2
22 DEW PT 24.02 868.7 62 BBL PT -113.25 671.7
23 DEW PT 21.61 934.4 63 BBL PT -120.31 606.0
24 DEW PT 18.52 1000.1 64 BBL PT -125.86 556.7
25 DEW PT 14.68 1065.8 65 BBL PT -127.76 540.3
26 DEW PT 14.25 1072.3 66 BBL PT -129.38 526.6
27 DEW PT 10.06 1131.5 67 BBL PT -130.05 521.0
28 DEW PT 3.94 1197.1 68 BBL PT -130.38 518.2
29 DEW PT -1.10 1238.4 69 BBL PT -130.55 516.8
30 DEW PT -4.72 1262.8 70 BBL PT -130.64 516.0
31 DEW PT -10.49 1293.1 71 BBL PT -135.74 474.6
32 DEW PT -22.13 1325.3 72 BBL PT -144.42 408.9
33 DEW PT -26.36 1328.5 73 BBL PT -144.74 406.6
34 MAX PRES -27.42 1328.6 74 BBL PT -154.04 343.3
35 DEW PT -28.49 1328.5 75 BBL PT -160.80 301.5
36 DEW PT -39.43 1312.4 76 BBL PT -164.97 277.6
37 DEW PT -51.89 1262.8 77 BBL PT -177.25 214.7
38 DEW PT -62.34 1197.1 78 BBL PT -177.84 211.9
39 DEW PT -62.63 1195.0 79 BBL PT -193.51 147.6
40 DEW PT -70.42 1131.5 80 BBL PT -193.91 146.2

G2 - DeEthanizer
Description
This application could help design a deethanizer column to remove
C2 and lighter components from a light hydrocarbon gas stream.
99% of the propane in the feed must be recovered in the bottom
product. The bottoms purity is defined by an ethane to propane ratio
of 0.025.
The flowsheet is shown in Figure G7.
Figure G7: Deethanizer Column
There is a design trade-off between the capital and operating costs.

Capital cost depends on the number of stages, which determines the
height, and on the diameter of the column. Operating costs depend
on the condenser and reboiler loadings. In order to develop a
relationship between capital and operating costs, a number of runs
with different column heights (stages) is required.
G2 - DeEthanizer 1-9
Process Data
This example calculates the diameter of a 20 theoretical tray
column operating at 82% of flood, with an 18-inch sieve tray
spacing. The diameters of the sections above and below the feed are
determined separately.
The gas stream composition and the process conditions are shown
in Table G2 and Table G3 respectively.
Table G2: Gas Stream Composition

Methane 44.59 I-pentane 1.68
Ethane 19.83 N-pentane 1.16
Propane 19.09 N-hexane 2.96
I-butane 4.16 N-heptane 1.90
Total flow (lb moles/hr) 900.00
Table G3: Process Conditions
Stream Pressure (psig) Thermal Conditions

1 (feed) 440 30 mole % vaporized
2 (condenser) 425 dew point
3 (bottoms) 440 bubble point
Methods and Data

Soave-Redlich-Kwong has been chosen to calculate equilibrium,
enthalpy, and vapor density. Lee-Kesler is used for liquid density.
The tray sizing calculation requires transport properties which are
generated by component blending.
Simulation Model
The deethanizer is modeled as a conventional distillation column
with 20 theoretical stages including the condenser. A thermosiphon
reboiler is required; this is simulated by a pumparound heater on the
bottom tray, with a return stream vapor fraction of 0.35. The feed is
flashed at the feed tray pressure, the vapor rising under tray 9 and
the liquid dropping onto tray 10.
1-10 Gas Processing G2 - DeEthanizer

Input Data
The program uses English units (default) for all the parameters
except for pressure units and liquid volume units. To change the
pressure units to psig and liquid volume units to US gallons, click
the UOM button on the toolbar and make the required
changes.
dialog box. Select the components from the available databanks.
Click Thermodynamics on the toolbar. Click Modify...

toview the Thermodynamic Data - Modification dialog box and
select Soave-Redlich-Kwong thermodynamic method for
equilibrium and enthalpy calculations as shown in Figure G9.
Figure G9: Thermodynamic Methods.
Lay down the PFD as shown in Figure G7. When dropping a new
column on the PFD, a dialog box requesting the number of
theoretical trays appears. Enter 20 which includes both the
condenser and the reboiler.

Double-click the stream and enter the liquid mole fraction of the
feed, the temperature at the feed pressure will be calculated. Enter
the flowrate and composition details in the dialog box as shown in
Figure G10.
Figure G10: Stream Data
Double-click the column unit operation to view the Column dialog

box.
Figure G11: Main Column Data Entry Window
Click the Feeds and Products button to specify the vapor to be
above feed tray and the liquid below feed tray as shown in Figure
G12. The SEPARATE keyword on the FEED statement in the
Keyword Input File reflects the same. If not specified, the vapor
portion of a mixed phase feed would enter below the feed tray.
Figure G12: Feeds and Products
Click the Performance Specifications button to enter the

specifications and the variables for the column. The two
specifications; propane recovery is defined by a 1% molar loss in
the overhead and ethane/propane ratio in the bottoms, 0.025, is the
ratio of the component molar flowrates. The condenser and reboiler
duties are varied in order to meet the specifications. See Figure
G13.

Figure G13: Specifications and Variables
Click the Pumparounds button to simulate a thermosiphon reboiler

by modeling a pumparound heater on the bottom tray, with a return
stream vapor fraction of 0.35 as shown in Figure G14.
Figure G14: Pumparounds
Click the Tray Hydraulics/Packing button and specify the column
trays operating at 82% of flood, with an 18-inch sieve tray spacing
as shown in Figure G15.
Figure G15: Tray Hydraulics/Packing.
The pressure profiles across the column and the condenser duties
are specified in their respective dialog box. These dialog boxes are
accessed by clicking the Pressure Profiles and Condenser buttons
on the Column dialog box.
Keyword Input File

TITLE PROBLEM=STD,PROJECT=G2,USER=SIMSCI,DATE=NOV91
DIMENSION PRES=PSIG,LIQVOL=GAL
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,IC4/6,NC4/&
7,IC5/8,NC5/9,NC6/10,NC7
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,DENSITY(L)=LK,TRANSPORT=PURE
STREAM DATA
PROP STREAM=1,LFRACT=0.7,PRESS=440,RATE=900,&
COMP=0.03/44.59/19.83/19.09/4.16/&
4.60/1.68/1.16/2.96/1.90
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
UNIT OPERATIONS DATA
COLUMN UID=D101,NAME=DEETHANIZER
PARA TRAY=20
FEED 1,10,SEPARATE
PROD OVHD=2,540,BTMS=3
COND TYPE=PARTIAL,PRES=425
PSPEC TOP=430,DPCOL=10
HEAT 1,1/2,20
ESTI MODEL=CONVENTIONAL,RRATIO=0.4
SPEC STREAM=3,COMP=3,RATE,RATIO,COMP=4,VALUE=0.025
SPEC STREAM=2,COMP=4,RATE,RATIO,STREAM=1,VALUE=0.01
PA FROM=20,TO=20,LFRACTION=0.65
VARY HEAT=1,2
TSIZE SECTIONS=2,9,SIEVE,SPACING=18,FF=82,DMIN=18
TSIZE SECTIONS=10,20,SIEVE,SPACING=18,FF=82,DMIN=18
END
Results
The capital cost of the column depends on its height and diameter.
The height is a function of the number of trays. The diameters for
the 20 theoretical stages are 30 inches above the feed and 54 inches
below it.
Conclusion
This simulation shows the results of diameter and duties for one
specific column height. The column cost is obtained from the height
and diameter. The column duties determine the capital costs of the
condenser and reboiler, as well as representing the major operating
costs. You will need to run cases at other column heights to
determine the capital/operating cost relationship.
Output
Click Generate Report on the toolbar to generate a report for
the entire flowsheet.
The column summary output shows the details of the temperatures,
pressures, duties and flowrates in the column.
The tray sizing results show the calculated diameter for each tray. If
the calculated diameter is not sufficient to accommodate the tray
free area plus the downcomer area, a warning is printed and the
diameter is increased until the restriction has been overcome.
The largest tray diameter in each section is used to rate the whole
section, 30 inches in the top and 54 inches in the bottom of the
column. The flooding factor and downcomer backup are printed for
each tray.
Finally, part of the stream printout is presented with a summary of
the feed and product streams.
DEETHANIZER COLUMN OUTPUT
UNIT 1, 'D101', 'DEETHANIZER'
TOTAL NUMBER OF ITERATIONS
IN/OUT METHOD 5
COLUMN SUMMARY
---------- NET FLOW RATES ----------- HEATER

TRAY TEMP PRESSURE LIQUID VAPOR FEED PRODUCT DUTIES
DEG F PSIG LB-MOL/HR MM BTU/HR
------ ------- -------- -------- -------- --------- --------- -----------
1C -36.2 425.00 318.6 577.5V -1.4729
2 -7.7 430.00 315.8 896.1
3 1.5 430.56 295.8 893.3
4 8.7 431.11 272.3 873.4
5 16.1 431.67 253.0 849.8
6 22.6 432.22 239.9 830.5
7 27.6 432.78 230.9 817.4
8 31.3 433.33 221.2 808.4
9 35.2 433.89 206.5 798.7 272.6V
10 71.8 434.44 1060.4 511.4 627.4L
11 114.1 435.00 1236.0 738.0
12 136.3 435.56 1333.7 913.5
13 151.5 436.11 1401.2 1011.2
14 163.3 436.67 1458.1 1078.7
15 172.7 437.22 1506.8 1135.7
16 180.6 437.78 1543.3 1184.3
17 187.9 438.33 1559.7 1220.8
18 196.1 438.89 1535.1 1237.2
19 208.6 439.44 1416.6 1212.6
20R 234.9 440.00 1094.1 2817.2P 2817.2P 5.4931
322.5L
FEED AND PRODUCT STREAMS
TYPE STREAM PHASEFROM TO LIQUID FLOW RATES HEAT RATES

TRAY TRAY FRAC LB-MOL/HR MM BTU/HR
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 MIXED 10 0.6971 900.00 -0.8875
PROD 2 VAPOR 1 577.51 0.6874
PROD 3 LIQUID 20 322.49 2.4454
OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) 4.4057E-13

OVERALL HEAT BALANCE, (H(IN) - H(OUT)) 2.4333E-05
PUMPAROUNDS
TRAY TEMP, DEG F LIQUID FRACTION ------------ RATES -------------

FROM TO FROM TO FROM TO LB-MOL/HR M LB/HR STD GAL/HR
---- ---- ------- ------- ------- ------- ---------- ---------- ----------
20 20 234.9 249.9 1.0000 0.6500 2817.20 157.809 33538.38

SPECIFICATIONS
SPECIFICATION PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED

NUMBER TYPE NO NO TYPE VALUE VALUE
------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM 3 20 3 MOL RATIO 2.500E-02 2.500E-02
REFLUX RATIOS
-------- REFLUX RATIOS --------
MOLAR WEIGHT STD L VOL
--------- --------- ---------
REFLUX / FEED STREAM 1 0.3539 0.2857 0.3556
REFLUX / VAPOR DISTILLATE 0.5516 0.7247 0.6690
TRAY SIZING CALCULATION OUTPUT

TRAY SIZING MECHANICAL DATA
SECTION TRAY TRAY TRAY SPACING SYSTEM TRAY MIN DIAMETER

NUMBERS PASSES IN FACTOR TYPE IN
------- --------- ------ ------------ ------ ----- ------------
1 2 - 9 N/A 18.00 1.00 SIEVE 18.00
2 10 - 19 N/A 18.00 1.00 SIEVE 18.00
TRAY SIZING RESULTS
TRAY VAPOR LIQUID VLOAD -- DESIGN -- NEXT SMALLER NEXT LARGER NP

CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
---- ----- ------ ----- ------- ---- ------- ---- ------- ---- --
2 2.080 43.1 0.718 25.2 82.0 24. 89.7 30. 59.0 1
3 2.086 41.4 0.709 24.9 82.0 24. 87.7 30. 57.7 1
4 2.084 39.0 0.694 24.4 82.0 24. 84.7 30. 55.7 1
5 2.081 37.1 0.682 27.1 62.1 24. 82.3 30. 54.2 1
MECHANICAL RESTRICTION ON TRAY 5, FOR FF = 82.0, CALCD. DIA = 24.1
6 2.080 35.9 0.674 26.8 62.0 24. 80.8 30. 53.2 1
7 2.080 35.1 0.669 26.7 61.9 24. 79.8 30. 52.5 1
8 2.083 34.0 0.663 29.5 48.7 24. 78.6 30. 51.7 1
9 2.039 32.3 0.646 29.1 48.4 24. 76.1 30. 50.0 1
10 2.001 182.7 0.732 37.6 63.4 36. 76.4 42. 58.4 1
11 2.452 234.2 0.984 40.5 82.0 36. 100.9 42. 76.8 1
12 2.699 268.2 1.143 44.0 82.0 42. 89.0 48. 70.4 1
13 2.865 294.5 1.262 46.6 82.0 42. 98.4 48. 77.8 1
14 2.999 317.6 1.365 48.8 82.0 48. 84.4 54. 68.8 1
15 3.113 338.0 1.455 50.7 82.0 48. 90.2 54. 73.4 1
16 3.204 355.0 1.528 52.2 82.0 48. 95.0 54. 77.4 1
17 3.264 366.9 1.580 53.3 82.0 48. 98.4 54. 80.1 1
18 3.272 369.7 1.591 53.5 82.0 48. 99.2 54. 80.7 1
19 3.153 351.8 1.509 51.9 82.0 48. 94.0 54. 76.6 1
** WARNING ** Design diameter includes mechanical restriction allowances.
TRAY RATING CALCULATION OUTPUT
TRAY SELECTION FOR TRAY RATING
SIEVE HOLE AREA 12.00 PERCENT OF ACTIVE AREA

SIEVE HOLE DIAMETER 0.50 IN
DESIGN NUMBER ----- DOWNCOMER WIDTHS -------

SECTION TRAY DIAMETER NP OF VALVES SIDE CENTER OFF-CENTER
NUMBER IN OR CAPS IN IN IN
------- ------ -------- -- --------- ------ ------- ----------
1 2 30. 1 N/A 5.414 N/A N/A
2 14 54. 1 N/A 15.723 N/A N/A
TRAY RATING AT SELECTED DESIGN TRAYS

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, PCT
CFS HOTGPM CFS IN PSI GPM/IN TRAY SPACING
---- ----- ------ ----- ---- ---- -- ------ ------- ------------
2 2.080 43.1 0.718 30. 59.0 1 0.041 1.9 30.83
3 2.086 41.4 0.709 30. 58.0 1 0.041 1.8 30.51
4 2.084 39.0 0.694 30. 56.6 1 0.041 1.7 30.02
5 2.081 37.1 0.682 30. 55.4 1 0.041 1.6 29.63
6 2.080 35.9 0.674 30. 54.6 1 0.041 1.6 29.39
7 2.080 35.1 0.669 30. 54.1 1 0.042 1.5 29.23
8 2.083 34.0 0.663 30. 53.5 1 0.042 1.5 29.02
9 2.039 32.3 0.646 30. 52.1 1 0.041 1.4 28.60
10 2.001 182.7 0.732 54. 36.5 1 0.043 3.7 33.70
11 2.452 234.2 0.984 54. 48.9 1 0.044 4.8 37.36
12 2.699 268.2 1.143 54. 57.1 1 0.045 5.5 40.05
13 2.865 294.5 1.262 54. 63.3 1 0.046 6.0 42.22
STREAM COMPONENT FLOWRATE OUTPUT

STREAM ID 1 2 3
NAME FEED OVERHEAD BOTTOMS
PHASE MIXED VAPOR LIQUID
THERMO ID SRK01 SRK01 SRK01
FLUID RATES, LB-MOL/HR
1 N2 0.2700 0.2700 1.5288E-10
2 C1 401.3100 401.3096 3.9358E-04
3 C2 178.4700 174.2168 4.2532
4 C3 171.8100 1.7161 170.0939
5 IC4 37.4400 4.1393E-05 37.4400
6 NC4 41.4000 4.7206E-06 41.4000
7 IC5 15.1200 2.6320E-10 15.1200
8 NC5 10.4400 4.1670E-11 10.4400
9 NC6 26.6400 1.5425E-16 26.6400
10 NC7 17.1000 0.0000 17.1000
TOTAL RATE, LB-MOL/HR 900.0000 577.5125 322.4875
TEMPERATURE, F -33.0306 -36.1519 234.9156

PRESSURE, PSIG 440.0000 425.0000 440.0000
ENTHALPY, MM BTU/HR -0.8875 0.6874 2.4454
MOLECULAR WEIGHT 33.1385 20.3635 56.0162
MOLE FRAC VAPOR 0.3000 1.0000 0.0000
MOLE FRAC LIQUID 0.7000 0.0000 1.0000

G3 - Refrigeration Loop
A refrigeration loop was originally designed to take advantage of a
low temperature stream from another process, to help condense the
refrigerant. Now it is proposed that some or all of this stream will
be used elsewhere in the plant. You must determine the effect on the
refrigeration loop of losing this auxiliary cooling duty.
Process Data
The process flowsheet is shown in Figure G16. The loop is closed
and operates with a fixed quantity of refrigerant. The liquid
refrigerant before being flashed through the valve, LETDOWN, is
cooled in the subcooler, SUBCOOL.
The two phases in the stream leaving the cooler are separated in the
flash, SEPARATOR, and the liquid portion is vaporized to provide
the required refrigerant duty. The two vapor streams are then
combined, recompressed, and condensed.
Figure G16: Refrigeration Loop Flowsheet
The refrigerant composition is shown in Table G4.
Table G4: Refrigerant Composition
Component lb moles/hr Component lb moles/hr

Ethane 1.04 i-Butane 1.68
Propane 96.94 n-Butane 0.34
G3 - Refrigeration Loop 1-21

Because the process changes will change the flowrate through the
existing compressor, performance curves supplied by the
manufacturer are used in the calculations. The performance curve
data are shown in Table G5.
Table G5: Curve Data
Volumetric Head, ft Adiabatic

Flowrate, ft3/hr Efficiency, %
500000 39000 68
912000 38000 69
1018000 37000 71
1237000 35300 72
1356000 33100 73
1427000 27250 71
Methods and Data

The Peng-Robinson equation of state has been selected for
calculating equilibrium K-values, enthalpies, and entropies. Liquid
densities are calculated using the Lee-Kesler correlation. This
combination gives accurate results for this type of light
hydrocarbon system.
Simulation Model
The independent variable in this simulation is the flowrate of the
refrigerant. This flowrate is estimated for stream 1 based on the
latent heat of propane, and a feedback controller is used to calculate
it as shown in Figure G17. The vaporizer exit stream is set to its
dew point, and the controller varies the rate of stream 1 in order to
meet the required refrigerant duty.
1-22 Gas Processing G3 - Refrigeration Loop

Figure G17: Simulation Strategy
There are two ways to sequence the controller relative to the

recycle. One way (defined as default in PRO/II), will be to sequence
the controller directly after the unit or stream being specified (in
this case, the duty on EVAPORATOR). This has the effect of the
controller interfering with the recycle convergence, particularly if
recycle acceleration is used. The other way is to sequence the
controller after the last unit operation in the recycle loop. This has
the effect of allowing the recycle loop to solve and for the controller
to operate on the converged recycle simulation. We will follow the
later strategy for our problem.
We want to study the effect of reducing the duty of SUBCOOL.
Using PRO/II with PROVISION, we can run the base simulation,
and then double-click SUBCOOL to lower the duty and observe its
effect on other important parameters.
The existing base case is simulated. Then the duty of SUBCOOL is
reduced in steps until the program indicates that the combination of
required process conditions is impossible. The refrigerant flowrate,
the compressor work, and the cooling in the CONDENSER are
inspected at each step.
Input Data
except for liquid volume units. To change the liquid volume units to
US gallons, click UOM button on the toolbar and make the
required changes.

Click Component to view the SIMSCI - Component
Selection dialog box. Select the components from the available
databanks.

Click Thermodynamics on the toolbar. Click Modify...
toview Thermodynamic Data - Modification dialog box and select
Peng-Robinson thermodynamic method for equilibrium and
enthalpy calculations and Lee-Kesler for liquid densities as shown
in Figure G19.
Figure G19: Thermodynamic Data Modification

Lay down the PFD as shown in Figure G20. Click the Calculation
Sequence to bring up the Calculation Sequence window.
Figure G20: Calculation Sequence
A user supplied sequence is chosen. You can initialize this sequence

with the MTS button. However, to ensure that the controller is
calculated outside the recycle loop, it must be brought to the bottom
of the sequence list.
The defined stream 1 flowrate of 20,000 moles/hr is an estimate,
and this is varied by the controller to meet the duty specification on
the exchanger, EVAPORATOR. An absolute tolerance of 0.001
MM BTU is specified on this duty.

Figure G21: Feedback Controller

The EVAPORATOR specification of a zero liquid fraction sets the
outlet condition to its dew point. Double-click the EVAPORATOR
unit, the heat exchanger main dialog box appears. Click the
Specifications button and specify a value of zero for the liquid
fraction as shown in Figure G22.
Figure G22: Heat Exchanger Specifications
The compressor performance curves for actual head and adiabatic

efficiency are input as tabular values against actual inlet flowrate.
Double-click the Compressor unit, the compressor main dialog box
appears. Select Actual Head Curve for Pressure, Work or Head

specification and Single Adiabatic Efficiency Curve for Efficiency
specification. Enter the curve data as given in Table G5 for
respective specifications. See Figure G23.
Figure G23: Compressor Curve Data.
Keyword Input File

TITLE PROJECT=G3, PROBLEM=APPBRIEFS, USER=SIMSCI
PRINT INPUT=ALL
TOLERANCE STREAM=0.0001
DIMENSION ENGLISH, LIQVOL=GAL
SEQUENCE DEFINED=SUBCOOL,LETDOWN,SEPARATOR,EVAPORATOR,MIXER, &
COMPRESSOR,CONDENSER,ADJUST_CIRC
CALCULATION RECYCLE=ALL
COMPONENT DATA
LIBID 1,ETHANE/2,PROPANE/3,IBUTANE/4,BUTANE

THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=LK, SET=PR01
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=140, PRESSURE=315, PHASE=M, &
RATE(M)=20000, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
NAME 1,PROPANE
UNIT OPERATIONS
HX UID=SUBCOOL, NAME=COOLER
HOT FEED=1, L=2, DP=5
OPER DUTY=17.34
VALVE UID=LETDOWN, NAME=VALVE
FEED 2
PRODUCT V=3
OPERATION PRESSURE=83
FLASH UID=SEPARATOR, NAME=SEPARATOR
FEED 3
PRODUCT V=4, L=5
ADIABATIC
HX UID=EVAPORATOR
COLD FEED=5, V=6, DP=9
OPER CLFRAC=0
MIXER UID=MIXER, NAME=SURGE
FEED 4,6
PRODUCT M=7
COMPRESSOR UID=COMPRESSOR
FEED 7
PRODUCT V=8
HEAD ACTUAL=500000,39000/911999,38000/1.018E6,37000/ &
1.237E6,35299.9/1.356E6,33100.1/1.427E6,27250
EFFICIENCY ADIA=500000,68/911999,69/1.018E6,71/1.237E6,72/ &
1.356E6,73/1.427E6,71
OPERATION CALCULATION=GPSA, WTOL=0.0001
HX UID=CONDENSER
HOT FEED=8, V=1, DP=8
OPER HLFRAC=1
CONTROLLER UID=ADJUST_CIRC
SPEC HX=EVAPORATOR, DUTY(BTU/HR), VALUE=82.74, ATOLER=0.001
VARY STREAM=1, RATE(LBM/H)
CPARAMETER IPRINT, NOSTOP, ITER=30
RECYCLE DATA
ACCELERATION TYPE=WEGSTEIN
END

Results
Figure G24: Simulation Results
The results of the main flowsheet parameters are listed in

Table G6 for the first three cases. As the duty on SUBCOOL is
reduced, more circulation is required to deliver the same amount of
refrigerant to the evaporator.
The performance curve data in Table G5 shows that the compressor
head falls with increasing flowrate. At the flowrates in these
simulations, the efficiency passes through the maximum in the
curve, so the compressor outlet pressure increases and then
decreases.
Table G6: Results
SUBCOOL duty (MM 17.34 15.00 12.50

BTU/hr)
Stream 1 (lb mole/hr) 18899.95 19169.59 19378.44
Separator (liq. frac.) 0.628 0.619 0.612
Valve feed pressure (psig) 352.62 345.65 336.86
Compressor work (hp) 14962.78 14989.16 14937.41
Compressor actual inlet 1294563 1313184 1327604
volume (ft3/hr)
Compressor outlet temp (F) 193.33 191.25 188.72

SUBCOOL duty (MM 17.34 15.00 12.50

BTU/hr)
Compressor outlet pres 365.62 358.65 349.86
(psia)
Compressor adiabatic 73.16 73.27 73.26
efficiency (%)
CONDENSOR duty (MM 103.52 105.90 108.27
BTU/hr)
When the refrigerant flowrate exceeds 18000 lb mole/hr, both the

efficiency and head fall with increasing flowrate. When this
happens, the feed pressure to the valve, LETDOWN, is reduced,
and so the expansion produces less cooling. This, in turn, leads to
less liquid for the vaporizer. The controller then increases the
refrigerant flowrate, which again reduces the amount of liquid, and
it is not possible to supply the specified refrigeration duty.
Conclusions
The plant can operate at a reduced sub-cooler duty at the cost of
additional compressor power requirements. Due to increased
refrigerant circulation, the line and equipment sizing will need to be
validated at that rate.
This simulation shows the importance of considering the real
performance characteristics of process equipment. If the
compressor were specified with only a defined exit pressure, the
problem with increased flowrate might not have been detected until
a later and more costly stage.
Output
The output reports are generated for the case with the SUBCOOL
duty at 15.0 MM BTU/hr.
From the Tools menu, select Spreadsheet and generate reports for
the following:
n Stream properties
n Compressor Data report
n Heat Exchanger duties

Figure G25: Stream Properties
Figure G26: Compressor Data

Figure G27: Heat Exchanger Duties
An output report for the entire flowsheet can also be generated by

clicking the Generate Report button .

G4 - Compressor Train
A plant has been designed to compress a gas stream from 450 kPa
to 6200 kPa, in three stages, for transportation using a pipeline. To
select the compressors you have to calculate the work required for
each stage. You also need the cooler duties and recycle rates in each
stage for utility calculations.
The compressed gas is to be cooled to 60 C after each stage, to
condense the heavier components. In order to maximize the gas
product rate, the liquid from each stage is recycled back to the
previous stage.
Process Data
The flowsheet is shown in Figure G28. Each stage consists of a
compressor, aftercooler, and a separator drum.
Figure G28: Compressor Train
The feed stream flowrate, composition and thermal conditions are

given in Table G7.
Table G7: Feed Stream Information
Component Kg Mole/hr Component Kg Mole/hr

Nitrogen 181 I-pentane 953
CO2 1920 N-pentane 1633
Methane 14515 Hexane 1542
Ethane 9072 BP 135 11975
G4 - Compressor Train 1-35

Propane 7260 BP 260 9072

I - Butane 770 BP 500 9072
N- Butane 2810
Pressure (kPa) 450
Temperature (C) 45
The pseudo-components are characterized by their boiling point,

specific gravity and normal boiling point as given in Table G8.
Table G8: Petroleum Fraction Properties
Fraction Molecular Weight Sp.Gravity NBP

BP 135 120 0.757 135
BP 260 200 0.836 260
BP 500 500 0.950 500
Methods and Data

The Soave-Redlich-Kwong (SRK) equation of state is used to
calculate equilibrium K-values, enthalpies, and vapor densities.
Binary interaction parameters are built into the program in order to
model accurately the non-ideal behavior of N2 and CO2 with the
hydrocarbons.
The SRK method has been found to predict liquid densities which
may be 10-20% low. For this reason, the LK method has been
selected as the most suitable for light hydrocarbon, high methane
mixtures.
1-36 Gas Processing G4 - Compressor Train

Simulation Model
Figure G29: Simulation Model
The compressors are modeled with fixed outlet pressures and

efficiencies. The PRO/II compressor model has a built-in
aftercooler and a flash separator drum, so some of the flowsheet
units can be eliminated. However, the separators for stages 1 and 2
are modeled as separate adiabatic flash drums in order to mix the
compressor product with the recycled liquid.
No estimates are required for the rate and composition of the three
recycle streams.
Input Data
The program uses SI units for all the parameters except for
temperatures. To change the temperature to Celsius from the default
Kelvin, click UOM button on the toolbar and make the
required changes.
Click Component to view the SIMSCI - Component
Selection dialog box. The pseudo-components are generated by
clicking the Petroleum button, and entering the data as shown in
Figure G30.

Figure G30: Petroleum Component Data
Build the PFD as shown in Figure G29. Double-click the feed

stream (100) to view the Feed stream dialog box. Enter the details
as shown in Table G7.

Enter the details for each of the Flash units. Each Flash unit
operates as a separator only. Hence, the pressure drops and duties
are set to zero as shown in Figure G31.
Figure G31: Flash Drum

Double-click the C1 compressor unit to view Compressor dialog
box. Fill in the details as shown in Figure G32. Similarly, enter the
data for C2 and C3.
Figure G32: Compressor
Keyword Input File

TITLE PROJECT=G4, PROBLEM=APPBRIEFS, USER=SIMSCI, DATE=NOV91
PRINT INPUT=ALL, STREAM=COMPONENT
TOLERANCE FLASH=3E-6
DIMENSION SI, TEMP=C, XDENSITY=SPGR
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,NITROGEN/2,CO2/3,METHANE/4,ETHANE/5,PROPANE/6,IBUTANE/ &
7,BUTANE/8,IPENTANE/9,PENTANE/10,HEXANE, BANK=PROCESS,SIMSCI
PETRO 11,BP135,120,0.757,135
PETRO 12,BP260,200,0.836,260
PETRO 13,BP500,500,0.95,500
ASSAY CURVEFIT=VER6
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, DENSITY(L)=LK, SET=SRK01
STREAM DATA
COMPOSITION(M,KGM/H)=1,181/2,1920/3,14515/4,9072/5,7260/ &
6,770/7,2810/8,953/9,1633/10,1542/11,11975/12,9072/13,9072
NAME 100,INLET GAS/10,COMPR VAPOR/11,CONDENSATE

UNIT OPERATIONS
FLASH UID=F1, NAME=FEED FLASH
FEED 100,5
PRODUCT V=2, L=11
ADIABATIC
COMPRESSOR UID=C1, NAME=STAGE 1
FEED 2
PRODUCT V=3
OPERATION CALCULATION=GPSA, PRES=1100, EFF=78
COOLER ACTEMP=60
FLASH UID=F2, NAME=STAGE 1 SEP
FEED 3,8
PRODUCT V=4, L=5
ADIABATIC
FEED 4
PRODUCT V=6
COOLER ACTEMP=60
FLASH UID=F3, NAME=STAGE 2 SEP
FEED 6,9
PRODUCT V=7, L=8
ADIABATIC
FEED 7
PRODUCT V=10, L=9
COOLER ACTEMP=60
END
Results & Conclusions

The work required for all the compressors is similar, and it may be
possible to use identical machines for each stage. The duty required
to cool the vapor and the amount of liquid to be recycled increase as
the pressure difference increases across each stage.

Figure G33: Simulation Results
Output
From the Tools menu, select Spreadsheet and you can generate
reports for the following:
n Flash summary - feed and first two letdown stages.
Figure G34: Flash Summary

Flash Name F1 F2
Description FEED FLASH STAGE 1 SEP STAGE 2 S
Flash Data
Temperature C 45.000 55.256 56.
Pressure KPA 450.000 1100.000 2600.
Pressure Drop KPA 0.000 0.000 0.
Duty M*KJ/HR 0.000 0.000 0.
Molar Flow KG-MOL/H 70905.422 32580.354 33552.
Liquid Volume Flow M3/HR 8168.151 18.093 69.
Gas Volume Flow M3/HR 183710.188 76329.648 30478.
Liquid Fraction 0.549 0.004 0.
Vapor Fraction 0.451 0.996 0.
Flash Type Adiabatic -T&P Adiabatic -T&P Adiabatic -T

Figure G35: Compressor
Compressor Name C1 C2 C3
Description STAGE 1 STAGE 2 STAGE 3
Compressor Data
Outlet pressure KPA 1100.000 2600.000 6200.000
Pressure difference KPA 650.000 1500.000 3600.000
Pressure ratio 2.444 2.364 2.385
Head fan law exponent M 2.000 2.000 2.000
Outlet temperature C 102.637 114.092 121.767
Specified work KW
Head M 10833.109 10603.327 10427.305
Operating RPM
Reference RPM
After cooler pressure drop KPA N/A N/A N/A
After cooler exit temperature C 60.000 60.000 60.000
Adiabatic efficiency 78.000 75.000 72.000
Polytropic efficiency 79.581 76.933 74.685
Eff. fan law exponent 1.000 1.000 1.000
Isentropic coeff. 1.183 1.186 1.201
Polytropic coeff. 1.241 1.256 1.289
Theoretical work KW 21874.680 21210.922 20191.875
Polytropic work KW 22318.164 21757.734 20944.807
Actual work KW 28044.461 28281.230 28044.270
Adiabatic work KW 28044.461 28281.230 28044.270
After cooler duty M*KJ/HR -82.591 -120.884 -167.535
Actual inlet vol. vapor flow M3/HR 183710.188 76329.648 30478.529
Adiabatic head M 8449.825 7952.496 7507.660
Polytropic head M 8621.137 8157.508 7787.612


G5 - Expander Plant
The demethanizer in an expander plant removes methane from a
production gas stream, to maintain a methane/ethane volumetric
ratio of 0.015 in the column liquid product. A new feed gas stream
with a different composition is being brought on stream, and you
must ensure that the same purity specification can be maintained,
and that the new reboiler duty does not exceed the capacity of the
unit.
You also need to know what pressure recovery is possible on the
methane stream leaving the plant.
Process Data
The flowsheet is shown in Figure G36 and the new feed
composition is in Table G9.
Figure G36: Expander Plant
G5 - Expander Plant 1-45


Methane 73.05 I-pentane 0.69
Ethane 7.68 N-pentane 0.82
Propane 5.69 Hexane 0.42
I-butane 0.99 Heptane 0.31
Flowrate (scfd) 24.4E6
Temperature (F) 120.0
Pressure (psig) 588.0
The expander lets the pressure down to 125 psig, which is the
working pressure of the demethanizer column. 90% of the expander
work is utilized by the compressor. The expander efficiency is 80%
and the compressor efficiency is 75%.
Methods and Data

Peng-Robinson is chosen for K-value and enthalpy calculations. It
is applicable to light hydrocarbon systems, and PRO/II includes
binary interaction constants to predict accurate N2/hydrocarbon
equilibria. The Lee-Kesler method, specified for liquid density,
works well for hydrocarbon components lighter than C10.
Simulation Model
The demethanizer is modeled as a conventional distillation column
with 10 theoretical stages including the reboiler. The reboiler duty
is varied to achieve the specified methane/ethane standard liquid
volume ratio of 0.015 in the bottom product.
The compressor is linked to the work generated by the expander by
use of the DEFINE feature. The DEFINE feature allows the
expander to let down the gas to 125 psig capturing all of the work
possible at 80% adiabatic efficiency. 90% of that work is
transmitted to the compressor, which compresses the product gas to
whatever pressure can be achieved at 75% adiabatic efficiency.
The gas-gas exchanger E1 is specified to have a hot-in-cold-out
(HICO) temperature approach of 10 F.
1-46 Gas Processing G5 - Expander Plant

The SimSci sequencer is used in this model. The chiller brings the
stream 3 down to a fixed pressure and temperature which
guarantees that the demethanizer will solve to the final state on the
first pass. Thus, there is no need for acceleration techniques or
reference streams to assure a rapid solution.
Input Data
The problem will be solved using English units, which is default,
except for pressure which will be in psig. To change the pressure
units, click UOM button on the toolbar and make the required
changes.
In addition to a standard input units report, we also want to get an SI
units report with pressure units in bars. Select from the Output
menu, Report Format/Units of Measure
To enter the component slate as shown in Table G9, click the
Component button on the toolbar to view SIMSCI -
Component Selection dialog box shown in Figure G37. Select the
components from the available databanks.

To select Grayson-Streed method for thermodynamic calculations,
click Thermodynamics on the toolbar. Click Modify... to
view the Thermodynamic Data - Modification dialog box and select
the required thermodynamic methods as shown in Figure G38.
Figure G38: Thermodynamic Data Modification
Lay down the units and connect them with streams per Figure G39.
Double-click E1 to enter the pressure drops (10 psi on the inlet gas
and 5 psi on the residue gas) and a HICO specification of 10 F. The
chiller E2 has an outlet specification of -84 F with a 5 psi pressure
drop. The separator D1 is a simple adiabatic flash with duty set to

zero. The liquid valve has an outlet pressure of 125 psig. The
expander lets down the vapor to 125 psig at 80% adiabatic
efficiency.
Double-click the compressor C1 to open the Compressor window.
The adiabatic efficiency is supplied as 75%. To link the compressor
to the expander work, specify "work" as the first specification type,
click on the real field, and then click on the Define button to bring
up the Definition dialog box. The work is then set to 90% of the
expander work.
Figure G39: Compressor Definition
The demethanizer has 10 trays. For modeling purposes, the pressure

is set throughout the column at 125 psig. The expander vapor,
stream 7 goes into equilibrium on tray 1. The expansion valve
product, stream 6 goes into equilibrium on tray 3. The reboiler is
varied while the methane concentration is set to 1.5% on a liquid
volume basis.

Figure G40: Column Specification
Keyword Input
PRINT INPUT=ALL, RATE=M,LV
DIMENSION ENGLISH, PRES=PSIG
OUTDIMENSION ADD, SI, PRES=BAR
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE/3,ETHANE/4,PROPANE/5,IBUTANE/6,BUTANE/ &
7,IPENTANE/8,PENTANE/9,HEXANE/ &
10,HEPTANE, BANK=SIMSCI,PROCESS
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=LK, SET=PR01, DEFAULT
STREAM DATA
PROPERTY STREAM=INLET_GAS, TEMPERATURE=120, PRESSURE=588, PHASE=M, &
RATE(GV)=1.0167E6, COMPOSITION(M)=1,7.91/2,73.05/3,7.68/ &
4,5.69/5,0.99/6,2.44/7,0.69/8,0.82/9,0.42/10,0.31
PROPERTY STREAM=3, TEMPERATURE=-83.999, PRESSURE=573, &
REFSTREAM=INLET_GAS
NAME INLET_GAS,Methane Rich Gas Feed/RESIDUE_GAS,Residue gas/ &

GAS_LIQUIDS,Gas Liquids
UNIT OPERATIONS
FLASH UID=D1, NAME=SEPARATOR
FEED 3
PRODUCT V=4, L=5
ADIABATIC
EXPANDER UID=X1, NAME=EXPANDER
FEED 4
PRODUCT M=7
OPERATION PRES=125, EFF=80
VALVE UID=V1, NAME=LIQ VALVE
FEED 5
PRODUCT V=6
COLUMN UID=T1, NAME=DEMETHANIZER
PARAMETER TRAY=10,IO
FEED 7,1/6,3
PRODUCT OVHD(M)=8,500, BTMS(M)=GAS_LIQUIDS, SUPERSEDE=ON
DUTY 1,10,,REBOILER
PSPEC PTOP=125
PRINT PROPTABLE=PART
ESTIMATE MODEL=CONVENTIONAL
SPEC ID=COL1SPEC1, STREAM=GAS_LIQUIDS, RATE(LV,FT3/H), COMP=2, &
WET, DIVIDE, STREAM=GAS_LIQUIDS, RATE(LV,FT3/H), &
COMP=3,WET, VALUE=0.015
VARY DNAME=REBOILER
REBOILER TYPE=KETTLE
HX UID=E1, NAME=GAS-GAS EX
HOT FEED=INLET_GAS, V=2, DP=10
CONFIGURE COUNTER
OPER HICO=10
HX UID=E2, NAME=CHILLER
HOT FEED=2, M=3, DP=5
OPER HTEMP=-83.999
COMPRESSOR UID=C1, NAME=COMPRESSOR
FEED 10
PRODUCT V=RESIDUE_GAS
OPERATION CALCULATION=GPSA, EFF=75
DEFINE WORK(HP) AS EXPANDER=X1, WORK(HP), TIMES,0.9
END

Results
Figure G41: Results
Figure G41 shows the results from the simulation in the specified
input units. The demethanizer column can meet the purity
specification with the new feed stream as long as the 2.29 MM Btu/
hr found on this solution is available for the reboiler. The expander
produces 392.2 hp expanding the gas from 573 to 125 psig while
the compressor uses 353.0 hp to compress the product gas from 120
to 161.2 psig.
Output
Excerpts from the standard output report in SI units of measure are
given here. The demethanizer output shows the required duty as
well as the column temperatures and internal flowrates. The
expander and compressor output shows the isentropic and
theoretical calculation results, as well as the actual performance.
The stream component flowrates showing the feed and product
streams are presented in both molar and liquid volume units.

Alternately, from the Tools menu, select Spreadsheet and you can
generate reports for the following:
n Stream properties
DEMETHANIZER COLUMN OUTPUT

UNIT 4, 'T1', 'DEMETHANIZER'
IN/OUT METHOD 8
COLUMN SUMMARY

DEG K BAR KG-MOL/HR M*KJ/HR
------ ------- -------- -------- -------- --------- --------- -----------
-
1 161.1 9.63 49.1 820.6M 996.1V
2 170.1 9.63 40.3 224.6
3 180.3 9.63 296.1 215.8 394.7M
4 180.7 9.63 297.5 77.0
5 180.8 9.63 297.6 78.4
6 181.5 9.63 297.0 78.5
7 186.0 9.63 295.5 77.8
8 206.1 9.63 307.4 76.3
9 240.1 9.63 344.4 88.2
10R 268.8 9.63 125.2 219.2L 2.4150
TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT RATES

TRAY TRAY FRAC KG-MOL/HR M*KJ/HR
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 7 MIXED 1 0.0617 820.60 -1.7330
FEED 6 MIXED 3 0.6529 394.65 -2.2924
PROD 8 VAPOR 1 996.10 -1.4911
PROD GAS_LIQUIDS LIQUID 10 219.15 -0.1193

OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -2.4976E-06
SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM GAS_ 10 2 LV RATIO 1.500E-02 1.500E-02

EXPANDER AND COMPRESSOR OUTPUT
UNIT 2, 'X1', 'EXPANDER'
Feeds 4
Products Mixed 7
OPERATING CONDITIONS
INLET ISENTROPIC OUTLET

----------- ----------- -----------
TEMPERATURE, K 208.71 155.28 158.69
PRESSURE, BAR 40.52 9.63 9.63
ENTHALPY, M*KJ/HR -0.6790 -1.9965 -1.7330
ENTROPY, KJ/KG-MOL-K 166.2037 166.2037 168.2500
MOLE PERCENT VAPOR 100.0000 91.4533 93.8314
MOLE PERCENT LIQUID 0.0000 8.5467 6.1686
MOLE PERCENT MW SOLID 0.0000 0.0000 0.0000
WEIGHT PERCENT TOTAL SOLID 0.0000 0.0000 0.0000
ACT VAP RATE, M3/SEC 0.0695
ADIABATIC EFF, PERCENT 80.00
WORK, KW
THEORETICAL 365.95
ACTUAL 292.76
UNIT 7, 'C1', 'COMPRESSOR'
Feeds 10
Products Vapor RESIDUE_GAS

----------- ----------- -----------
TEMPERATURE, K 316.48 336.80 343.09
PRESSURE, BAR 9.29 12.13 12.13
ENTHALPY, M*KJ/HR 4.0745 4.7859 5.0231
ENTROPY, KJ/KG-MOL-K 194.6122 194.6122 195.3126
CP, KJ/KG-MOL-K 36.7518 37.9480
CV, KJ/KG-MOL-K 27.7771 28.9226
CP/(CP-R) 1.2924 1.2806
CP/CV 1.3231 1.3121
ACT VAP RATE, M3/SEC 0.7720
POLYTROPIC EFF, PERCENT 75.8022
ISENTROPIC COEFFICIENT, K 1.3047
POLYTROPIC COEFFICIENT, N 1.4452
HEAD, M
ADIABATIC 4183.95
POLYTROPIC 4228.71
ACTUAL 5578.61
WORK, KW
THEORETICAL 197.61
POLYTROPIC 199.72
ACTUAL 263.48
NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS
CALCULATED FROM HEAD EQUATION
HEAT EXCHANGER OUTPUT
UNIT 5, 'E1', 'GAS-GAS EX'
DUTY, M*KJ/HR 5.566

LMTD, K 32.169
** WARNING ** The LMTD correction factor (FT) has been set to 0.0001.
F FACTOR (FT) 1.000E-04
MTD, K 3.217E-03
U*A, KW/K 480584.418
HOT SIDE CONDITIONS INLET OUTLET

----------- -----------
FEED INLET_GAS
MIXED PRODUCT 2
VAPOR, KG-MOL/HR 1215.249 1079.840
K*KG/HR 27.354 21.253
CP, KJ/KG-K 2.268 2.375
LIQUID, KG-MOL/HR 135.409
K*KG/HR 6.102
CP, KJ/KG-K 2.362
TOTAL, KG-MOL/HR 1215.249 1215.249
K*KG/HR 27.354 27.354
CONDENSATION, KG-MOL/HR 135.409
TEMPERATURE, K 322.039 258.894
PRESSURE, BAR 41.554 40.865
COLD SIDE CONDITIONS INLET OUTLET

----------- -----------
FEED 8
VAPOR PRODUCT 10
VAPOR, KG-MOL/HR 996.098 996.098
K*KG/HR 17.332 17.332
CP, KJ/KG-K 2.178 2.112
TOTAL, KG-MOL/HR 996.098 996.098
K*KG/HR 17.332 17.332
PRESSURE, BAR 9.632 9.287

FEED AND PRODUCT STREAM OUTPUT (Molar)
STREAM ID GAS_LIQUIDS INLET_GAS RESIDUE_GAS
NAME Gas Liquids Methane Rich Residue gas
Gas Feed
PHASE LIQUID VAPOR VAPOR
THERMO ID PR01 PR01 PR01
FLUID RATES, KG-MOL/HR

1 NITROGEN 2.3361E-08 96.1262 96.1262
2 METHANE 1.8858 887.7396 885.8538
3 ETHANE 79.4583 93.3311 13.8729
4 PROPANE 68.9062 69.1477 0.2414
5 IBUTANE 12.0291 12.0310 1.9034E-03
6 BUTANE 29.6505 29.6521 1.5641E-03
7 IPENTANE 8.3852 8.3852 1.4061E-05
8 PENTANE 9.9650 9.9650 1.0715E-05
9 HEXANE 5.1040 5.1040 5.7176E-08
10 HEPTANE 3.7673 3.7673 1.0564E-09
TOTAL RATE, KG-MOL/HR 219.1515 1215.2493 996.0979
TEMPERATURE, K 268.7911 322.0389 343.0921

PRESSURE, BAR 9.6317 41.5544 12.1311
ENTHALPY, M*KJ/HR -0.1193 7.7653 5.0231
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000
FEED AND PRODUCT STREAM OUTPUT (Liquid Volume)

STREAM ID GAS_LIQUIDS INLET_GAS RESIDUE_GAS
NAME Gas Liquids Methane Rich Residue gas
Gas Feed
PHASE LIQUID VAPOR VAPOR
FLUID RATES, M3/HR

1 NITROGEN 8.0997E-10 3.3329 3.3329
2 METHANE 0.1009 47.5195 47.4186
3 ETHANE 6.7296 7.9045 1.1749
4 PROPANE 6.0075 6.0286 0.0211
5 IBUTANE 1.2400 1.2402 1.9622E-04
6 BUTANE 2.9493 2.9495 1.5558E-04
7 IPENTANE 0.9667 0.9667 1.6210E-06
8 PENTANE 1.1392 1.1392 1.2250E-06
9 HEXANE 0.6620 0.6620 7.4155E-09
10 HEPTANE 0.5475 0.5475 1.5353E-10
TOTAL RATE, M3/HR 20.3428 72.2905 51.9478
TEMPERATURE, K 268.7911 322.0389 343.0921

PRESSURE, BAR 9.6317 41.5544 12.1311
ENTHALPY, M*KJ/HR -0.1193 7.7653 5.0231
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000

G6 - Three Stage Let-Down

The dissolved gases in crude oil from a well are released as the
pressure drops and must be removed in order to avoid storage and
transportation difficulties. To minimize oil loss, it is removed in
several stages, recompressing vapor and recycling liquid which
drops out.
You must simulate the three stage letdown process to determine
how much gas will be produced and calculate the crude oil flowrate
for transportation. The true vapor pressure (TVP) of the oil product
must not exceed 14.7 psia, to ensure that no vapor flashes off.
Cooling water for the compressor precooler and aftercoolers is
available at 70 F and is allowed to rise to 30 F. You must determine
how much cooling water is required.
Process Data
The flowsheet for the three stage process is shown in Figure G42.
The feed consists of water, pure hydrocarbons, and petroleum
fractions as shown in Table G10.
Figure G42: Three Stage Letdown
G6 - Three Stage Let-Down 1-57

Component lb moles/hr Component lb moles/hr

Water 3000 Cut 11 165
CO2 35 Cut 12 303
N2 30 Cut 13 560
C1 890 Cut 14 930
C2 300 Cut 15 300
C3 520 Cut 16 300
iC4 105 Cut 17 300
nC4 283 Cut 18 280
iC5 100 Cut 19 260
nC5 133
Temperature (F) 200
Pressure (psia) 1000
The first stage flash is at 300 psia and 200 F. The second stage is
adiabatic at 200 psia. The third stage is also adiabatic, but the
pressure is calculated in order to meet the TVP specification.
60% of the free water in stage 1 is removed from the process. The
remaining is removed from the following flashes. The compressor
outlets are cooled to 120 F, and the liquid portions are recycled to
the third stage flash.
The vapor from stages 2 and 3 are recompressed to 97 and 297 psia
respectively. The final product gas is produced at 297 psia.
Methods and Data

The crude oil has been characterized in the laboratory into nine
petroleum fractions, with the properties listed in Table G11. The
data are entered with the PETRO statement, and all other properties
are estimated from the given data, using standard petroleum
correlations.
Equilibrium K-values, enthalpies, and vapor densities are calculated
using the Soave-Redlich-Kwong (SRK) equation of state. This
method is applicable over a wide range of temperature, pressure,
and compositions. The API Data Book method is automatically
1-58 Gas Processing G6 - Three Stage Let-Down

selected for liquid densities with the SRK system. This method
gives good results for hydrocarbon liquid streams which do not
contain large amounts of methane or ethane.
Table G11: Petroleum Fraction Properties
Fraction Molecular Wt. API Gravity NBP (F)

Cut11 91 64 180
Cut12 100 61 210
Cut13 120 55 280
Cut14 150 48 370
Cut15 200 40 495
Cut16 245 35 590
Cut17 300 30 687
Cut18 360 26 770
Cut19 430 22 865
Simulation Model
It is not necessary to explicitly model all of the valves and flash

separators in the flowsheet to achieve a valid simulation model
unless you are interested in maintaining a strict visual metaphor
with the plant. Valves followed by separators can be modeled as a

simple flash drum. The compressor has a built in aftercooler and
flash separator. In this case we will keep the aftercooler separate to
give us an opportunity to feed additional vapor streams. The
exchanger model also has a built in flash separator and that is used
here.
A controller is added to adjust the pressure of the third stage
letdown to maintain the TVP of 14.7 psia of the stabilized crude
stream 105. Even though stream 105 is a direct product from the
valve modeled by flash drum VAL2, sequencing the controller
immediately after the flash drum may not be the best strategy
because liquid recycle streams from the two compressors feed into
VAL2. The PRO/II sequencer automatically places the controller
outside the recycle loop which works well in this case.
Input Data
The problem will be solved using English units, which is default,
except for petroleum density units which will be in API. To change
the units, click UOM button on the toolbar and make the
required changes.
To select the components listed in Table G10, click the Component
button on the toolbar to view SIMSCI -Component Selection
dialog box. Click the Petroleum button to enter the petroleum
fraction properties given in Table G11.
Build the flowsheet as shown in Figure G43. Flash drums VAL1,
VAL2, and VAL3 (representing valves and separators) are all
specified as adiabatic flashes at their respective pressures (300 psia,
100 psia and 16.7 psia respectively). The pressure for VAL3 is an
estimate only. The final pressure will be determined by the
controller to achieve the desired TVP on the crude product. The
VAL1 data entry is shown in Figure G44.

Figure G44: Flash Drum Specification
The splitter is specified to send 40% of the splitter feed to the

second stage letdown.
Figure G45: Splitter Specification

The exchangers are each specified to cool the process stream to
120 F. A cooling water utility is specified. Cooling water is allowed
to rise from 70 F to 100 F. PRO/II will calculate the amount of
cooling water required.
Figure G46: Heat Exchanger Specification
The compressors are specified to bring up the pressures to 100 psia

and 300 psia respectively at 70% adiabatic efficiency.

Figure G47: Compressor Specification
The controller is specified to vary the pressure of VAL3 to achieve

the desired TVP of the stabilized crude product stream 105.
Figure G48: Feedback Controller Specification

Keyword Input File

DIMENSION ENGLISH, LIQVOL=BBL
COMPONENT DATA
LIBID 1,WATER/2,CO2/3,N2/4,C1/5,C2/6,C3/7,IC4/8,NC4/9,IC5/10,NC5
PETRO 11,CUT11,91,63.9999,180
PETRO 12,CUT12,100,61,210
PETRO 13,CUT13,120,55,280
PETRO 14,CUT14,150,47.9999,370
PETRO 15,CUT15,200,40.0001,495
PETRO 16,CUT16,245,35,590
PETRO 17,CUT17,300,30,687
PETRO 18,CUT18,360,26,770
PETRO 19,CUT19,430,22,865
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01
STREAM DATA
COMPOSITION(M,LBM/H)=1,3000/2,35/3,30/4,890/5,300/6,520/ &
7,105/8,283/9,100/10,133/11,165/12,303/13,560/14,930/15,300/ &
16,300/17,300/18,280/19,260
NAME 100,OIL FEED/105,OIL PRODUCT/110,GAS PRODUCT
UNIT OPERATIONS
FLASH UID=VAL1, NAME=STAGE 1
FEED 100
PRODUCT V=20, L=2, W=W1
ADIABATIC PRESSURE=300
SPLITTER UID=SPL1, NAME=WATER SPLIT
FEED W1
PRODUCT M=SW1, M=SW2
OPERATION OPTION=FILL
SPEC STREAM=SW1, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
FEED 2,SW1
HX UID=HX-1
HOT FEED=22, L=11, V=24, W=W5, DP=3
UTILITY WATER, TIN=70, TEMPERATURE=100
CONFIGURE COUNTER
OPER HTEMP=120
COMPRESSOR UID=COM1
FEED 24
PRODUCT V=25
OPERATION CALCULATION=ASME, PRES=100, EFF=70
HX UID=HX-2, NAME=COM1 COOLER
HOT FEED=25,21, L=10, V=27, DP=3
CONFIGURE COUNTER
OPER HTEMP=120
COMPRESSOR UID=COM2
FEED 27
PRODUCT V=28
OPERATION CALCULATION=ASME, PRES=300, EFF=70

HX UID=HX-3, NAME=COM2 COOLER
HOT FEED=28,20, L=9, V=110, DP=3
CONFIGURE COUNTER
OPER HTEMP=120
FEED 3,11,9,10
ADIABATIC PRESSURE=16.7
CONTROLLER UID=CON1, NAME=TVP CONTROL
SPEC STREAM=105, TVP(PSIA), VALUE=14.7, ATOLER=0.01
VARY FLASH=VAL3, PRES(PSIA)
CPARAMETER IPRINT, NOSTOP
END
Results
The gas product dry flowrate is 716,683 std. ft3/hr, and the oil
production is 2644.8 bbl/hr. The final stage pressure which gives
the required oil TVP is 35.95 psia.
The cooling water for the precooler HX-1 is 71,941 lb/hr. The
cooling water required by stages 1 and 2 is 102,017 and 161,943 lb/
hr, respectively (simulation output not shown here).
Conclusion
This simulation has provided all the necessary information. The
model could now be used to investigate if different letdown and/or
compressor conditions could improve the oil product rate.
Output
Alternately, from the Tools menu, select Spreadsheet and you can
generate reports for the following:
n Flash Summary
The flash drum summary shows the conditions in each letdown and
compression stage. The full details of the second stage compressor
and aftercooler appear on the compressor and heat exchanger
output. The aftercooler details show the cooling water requirement.
A portion of the stream property output showing the feed and
product streams is presented.

FLASH SUMMARY
FLASH ID VAL1 VAL2 VAL3
NAME STAGE 1 STAGE 2 STAGE 3
FEEDS 100 2 3
SW1 11
9
10
PRODUCTS VAPOR 20 21 22
LIQUID 2 3 105
WATER W1 W2 W3
TEMPERATURE, F 196.139 189.428 176.124

PRESSURE, PSIA 300.000 100.000 35.951
PRESSURE DROP, PSI 700.000 200.000 -3.000
MOLE FRAC VAPOR 0.12777 0.09639 0.11738
MOLE FRAC TOTAL LIQUID 0.87223 0.90361 0.88262
MOLE FRAC H/C LIQUID 0.54239 0.71482 0.87934
MOLE FRAC FREE WATER 0.32984 0.18878 0.00328
DUTY, MM BTU/HR 0.00000 0.00000 0.00000
FLASH TYPE ADIABATIC-P ADIABATIC-P ADIABATIC-P
STAGE 2 COMPRESSOR
UNIT 11, 'COM2'
Feeds 27
Products Vapor 28
----------- ----------- -----------
TEMPERATURE, F 120.00 209.32 235.14
PRESSURE, PSIA 97.00 300.00 300.00
ENTHALPY, MM BTU/HR 6.9119 8.0709 8.5677
ENTROPY, BTU/LB-MOL-F 56.5485 56.5485 57.3455
CP, BTU/LB-MOL-F 17.8165 21.2094
CV, BTU/LB-MOL-F 15.2610 17.8573
CP/(CP-R) 1.1254 1.1033
CP/CV 1.1674 1.1877
MOLE PERCENT H/C LIQUID 0.0000 0.0000 0.0000
MOLE PERCENT WATER 0.0000 0.0000 0.0000
ACT VAP RATE, M FT3/MIN 0.9154
ASME "F" FACTOR 1.0038
HEAD, FT
ADIABATIC 25212.30
POLYTROPIC 25954.38
ACTUAL 36017.57
WORK, HP
THEORETICAL 455.53

POLYTROPIC 468.94
ACTUAL 650.75
NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS CALCULATED FROM ASME EQUATIONS
STAGE 2 AFTERCOOLER
UNIT 12, 'HX-3', 'COM2 COOLER'
DUTY, MM BTU/HR 4.858

LMTD, F 78.542
F FACTOR (FT) 0.913
MTD, F 71.699
U*A, BTU/HR-F 67757.657

----------- -----------
FEEDS 28
20
LIQUID PRODUCT 9
VAPOR PRODUCT 110
VAPOR, LB-MOL/HR 2037.336 1888.555
M LB/HR 65.162 58.008
CP, BTU/LB-F 0.530 0.503
LIQUID, LB-MOL/HR 104.234
M LB/HR 6.351
CP, BTU/LB-F 0.606
WATER, LB-MOL/HR 44.547
M LB/HR 0.803
CP, BTU/LB-F 0.996
TOTAL, LB-MOL/HR 2037.336 2037.336
M LB/HR 65.162 65.162
CONDENSATION, LB-MOL/HR 148.781
TEMPERATURE, F 216.304 120.000
PRESSURE, PSIA 300.000 297.000

----------- -----------
COOLING WATER, LB/HR 161938.241 161938.241

STREAM PROPERTIES OUTPUT
STREAM ID 28 100 105 110

NAME OIL FEED OIL PRODUCT GAS PRODUCT
PHASE WET VAPOR WET LIQUID WET LIQUID WET VAPOR
----- TOTAL STREAM -----

RATE, LB-MOL/HR 913.700 8794.000 3952.898 1888.554
M LB/HR 35.762 830.134 718.936 58.008
TEMPERATURE, F 235.141 200.000 176.124 120.000
PRESSURE, PSIA 300.000 1000.000 35.951 297.000
MOLECULAR WEIGHT 39.139 94.398 181.876 30.716
ENTHALPY, MM BTU/HR 8.568 69.089 43.255 9.723
BTU/LB 239.576 83.226 60.165 167.622
MOLE FRACTION LIQUID 0.00000 1.00000 1.00000 0.00000
MOLE FRACTION FREE WATER 0.00000 0.33233 0.00000 0.00000
----- TOTAL VAPOR ------

RATE, LB-MOL/HR 913.700 N/A N/A 1888.554
M LB/HR 35.762 N/A N/A 58.008
M FT3/HR 20.223 N/A N/A 35.013
STD VAP RATE(1), M FT3/HR 346.734 N/A N/A 716.675
MOLECULAR WEIGHT 39.139 N/A N/A 30.716
ENTHALPY, BTU/LB 239.576 N/A N/A 167.622
CP, BTU/LB-F 0.542 N/A N/A 0.503
DENSITY, LB/M FT3 1768.364 N/A N/A 1656.768
Z (FROM DENSITY) 0.8905 N/A N/A 0.8851
THERMAL COND, BTU/HR-FT-F 0.01936 N/A N/A 0.01657
VISCOSITY, CP 0.01324 N/A N/A 0.01110
----- TOTAL LIQUID -----

RATE, LB-MOL/HR N/A 8794.000 3952.898 N/A
M LB/HR N/A 830.134 718.936 N/A
BBL/HR N/A 3296.377 2646.719 N/A
GAL/MIN N/A 2307.456 1852.697 N/A
STD LIQ RATE, BBL/HR N/A 3037.827 2501.700 N/A
MOLECULAR WEIGHT N/A 94.398 181.876 N/A
ENTHALPY, BTU/LB N/A 83.226 60.165 N/A
CP, BTU/LB-F N/A 0.567 0.511 N/A
DENSITY, LB/BBL N/A 251.832 271.633 N/A
Z (FROM DENSITY) N/A 0.2973 0.0198 N/A
SURFACE TENSION, DYNE/CM N/A 29.5980 21.2796 N/A
TH COND, BTU/HR-FT-F N/A 0.05343 0.05235 N/A
VISCOSITY, CP N/A 0.40761 1.15883 N/A
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)

STREAM ID 28 100 105 110
NAME OIL FEED OIL PRODUCT GAS PRODUCT
PHASE WET VAPOR WET LIQUID WET LIQUID WET VAPOR
------ DRY STREAM ------

RATE, LB-MOL/HR 897.839 5794.000 3916.153 1877.847
M LB/HR 35.476 776.089 718.274 57.815
STD LIQ RATE, BBL/HR 210.420 2883.415 2499.808 383.606
REDUCED TEMP (KAYS RULE) 1.1729 0.6859 0.5376 1.1565
PRES (KAYS RULE) 0.4778 2.2786 0.1064 0.4572
ACENTRIC FACTOR 0.1229 0.3649 0.4996 0.0839
WATSON K (UOPK) 15.108 12.296 12.001 15.964
STD LIQ DENSITY, LB/BBL 168.597 269.156 287.332 150.715
SPECIFIC GRAVITY 0.4815 0.7687 0.8206 0.4304
API GRAVITY 162.384 52.586 40.941 197.252
------ DRY VAPOR -------

RATE, LB-MOL/HR 897.839 N/A N/A 1877.847
M LB/HR 35.476 N/A N/A 57.815
M FT3/HR 19.831 N/A N/A 34.789
STD VAP RATE(1), M FT3/HR 340.715 N/A N/A 712.612
SPECIFIC GRAVITY (AIR=1.0) 1.364 N/A N/A 1.063
MOLECULAR WEIGHT 39.513 N/A N/A 30.788
CP, BTU/LB-F 0.543 N/A N/A 0.505
DENSITY, LB/M FT3 1788.953 N/A N/A 1661.864
THERMAL COND, BTU/HR-FT-F 0.01942 N/A N/A 0.01659
VISCOSITY, CP 0.01324 N/A N/A 0.01111
------ DRY LIQUID ------

RATE, LB-MOL/HR N/A 5794.000 3916.153 N/A
M LB/HR N/A 776.089 718.274 N/A
BBL/HR N/A 3136.276 2644.776 N/A
GAL/MIN N/A 2195.386 1851.337 N/A
STD LIQ RATE, BBL/HR N/A 2883.415 2499.808 N/A
SPECIFIC GRAVITY (H2O=1.0) N/A 0.7687 0.8206 N/A
MOLECULAR WEIGHT N/A 133.947 183.413 N/A
CP, BTU/LB-F N/A 0.537 0.511 N/A
DENSITY, LB/BBL N/A 247.456 271.582 N/A
SURFACE TENSION, DYNE/CM N/A 13.5653 20.8880 N/A
THERMAL COND, BTU/HR-FT-F N/A 0.05170 0.05233 N/A


G7 - Gas De-Hydration Using TEG

Gas dehydration is being performed by an existing TEG plant
currently in operation. You wish to model the operation of this plant
based on recent plant test data in order to estimate annual TEG
vaporization losses.
Process Data
The process flowsheet for the TEG dehydration system is shown in
Figure G49. The feed to this system is 39 MMSCFD of wet gas
(21.5 pounds of water per MMSCF of wet gas) at 80 F and
720 psig.
This feed stream is synthesized by mixing the hydrocarbon gas on a
dry basis (stream HC_FEED) with water (stream
WATER_FEED) to yield the actual wet gas feed (stream
WET_GAS). The Stream Data specifications consist of the
composition and thermal condition of the two feed streams (streams
HC_FEED and WATER_FEED) and the recycle stream (stream
LEAN_6):
Stream ID HC_FEED WATER_FEED LEAN_6

Stream Components mole, % lb/day Weight, %
1 CO2 1.365 0.00 0.000
2 H2S 1.700 0.00 0.000
3 C1 88.140 0.00 0.000
4 C2 6.410 0.00 0.000
5 C3 1.710 0.00 0.000
6 IC4 0.181 0.00 0.000
7 NC4 0.239 0.00 0.000
8 IC5 0.069 0.00 0.000
9 NC5 0.071 0.00 0.000
10 NC6 0.054 0.00 0.000
11 NC7 0.061 0.00 0.000
12 H2O 0.000 838.54 1.400
Stream Rate SCFD lb/day gal/hr
39.0E+6 838.50 600.00
Temperature (F) 80 80 130
Pressure (psig) 720 720 720
G7 - Gas De-Hydration Using TEG 1-71

Stream ID HC_FEED WATER_FEED LEAN_6

Stream Components mole, % lb/day Weight, %
13 TEG 0.000 0.00 98.640
Stream Rate SCFD lb/day gal/hr
39.0E+6 838.50 600.00
Temperature (F) 80 80 130
Pressure (psig) 720 720 720
Figure G49: TEG Plant
Methods and Data

The GLYCOL system is used to select equilibrium and enthalpy
data for dehydration calculations. This is a special data package
provided in PRO/II specifically for glycol dehydration systems. The
data in this package have been fitted over a range of typical
temperatures and pressures for TEG dehydration systems.
The GLYCOL package is based on TEG solutions which are
typically used in dehydration operations (98+ percent TEG by
weight). API densities are used in the Glycol thermodynamic
system for TEG solutions.
1-72 Gas Processing G7 - Gas De-Hydration Using TEG

Simulation Model
The TEG plant process flowsheet is shown in Figure G49. The
corresponding PRO/II simulation flow diagram is shown in Figure
G50:
Figure G50: TEG Flowsheet
The standard convergence criteria have been modified to ensure

that the trace recycle component (water) will be tested for closure.
Convergence of the recycle stream (lean TEG, stream LEAN_6)
is enhanced by specifying the recycle stream temperature (see
"Cooler" heat exchanger specification). This is good simulation
practice and also corresponds well to actual operations.
The actual feed stream is synthesized as mentioned above by
isothermal mixing of the water and natural gas portions of the feed
stream in a flash module.
Streams RICH_3 and RICH_5 are each referenced to upstream
streams to speed convergence. This allows exchangers L-R_HX_2
and L-R_HX_1 to be solved on the first calculational pass without
providing recycle estimates.
A contactor model using three theoretical trays or equilibrium
stages is used to match actual plant data accurately.
The regenerator is modeled by feeding the warm, rich glycol to tray
one. If it is desired to furnish a condenser, the reflux rate should be
specified and the condenser duty calculated. The reboiler
temperature is specified, which sets the lean TEG concentration.

Regenerators in which stripping gas is injected may also be
modeled. External stripping columns may be modeled with two or
three equilibrium stages.
A Stream Calculator utility module is used to create the make-up
TEG stream. TEG losses in the plant product streams DRY_GAS,
FLASH_GAS and WATER_VAPOR are summed to determine the
required TEG make-up.
Input Data
The units of measure for this problem are the default English units.
Enter the component slate given in Table G12 through the
Component Selection dialog box shown in Figure G51.
Figure G51: : Component Selection
The Glycol thermodynamic package is selected through the

Thermodynamic dialog box .

Figure G52: : Thermodynamic Data
The flowsheet is constructed as shown in Figure G49. Stream

TEG_FEED, WATER_FEED and LEAN_6 dialog boxes are
entered and populated according to Table G12.
Stream RICH_3 is referenced to stream RICH_1 and RICH_5 is
referenced to RICH_4. Note that the pressure and temperature are
set to their respective simple heat-exchanger outlet thermo
conditions. The RICH_3 dialog box is shown in Figure G50: .

Figure G53: : Reference Stream
The heat exchangers, pump, valve, and flashes are specified

according to the process conditions shown in Figure G50.
The contactor is a simple column with no condenser or reboiler.
There are also no specifications and variables. PRO/II will calculate
a solution based on the feed flows only. The only thing that is
entered are the column pressure (720 psig), the number of trays (3) ,
the feed locations (trays 1 and 3 for LEAN_6 and WET_FEED)
respectively, and an estimate for the bottoms product rate
(600 gal/hr, same as the estimate for the top feed rate).

Figure G54: Contactor
The regenerator has a reboiler but no condenser. The reboiler is

varied to achieve the bottom specification of 400 F. The overhead
rate estimate is 35 lb/hr (based on water feed to the flowsheet). The
top pressure is 0.01 psig with a 1 psi gain to the bottom of the
column.

Figure G55: Column Specifications and Variables
Convergence is accelerated by calculating the required TEG

makeup from product stream losses. This is done through a Stream
Calculator CALC_TEG. The feed streams to the Stream Calculator
are streams that are referenced to the various flowsheet product
streams. The stream calculator product stream TEG_CALC is a
pure TEG stream at 1 psig and 80 F. It is populated by summing all
of the TEG in the flowsheet product streams, and filtering out all
the components except for TEG.

Figure G56: Stream Calculator
Recycle testing for trace components is adjusted in the Recycle

Convergence window. This is accessed using the Recycle button
. The Exlude components value is changed to 0.0005.
Keyword Input File

TITLE PROJECT=APPBRIEF, PROBLEM=G7, USER=SIMSCI
PRINT INPUT=ALL, STREAM=COMPONENT, RATE=M
TOLERANCE STREAM=,,0.0005
DIMENSION ENGLISH, PRES=PSIG, LIQVOL=GAL, XDENSITY=API, &
CONDUCT=BTUH, SURFACE=DYNE
SEQUENCE DEFINED=PREMIX,CONTACTOR,FLASH_TANK,REGENERATOR,LR_HX_1, &
LIQ_VALVE,L-R_HX_2,TEG_MIXER,LEAN_PUMP,LEAN_COOLER,SC1
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/5,PROPANE/6,IBUTANE/ &
7,BUTANE/8,IPENTANE/9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,TEG
THERMODYNAMIC DATA

METHOD SYSTEM=GLYC, SET=GLYC01, DEFAULT
STREAM DATA
PROPERTY STREAM=HC_FEED, TEMPERATURE=80.001, PRESS=720, PHASE=M, &
RATE(GV)=1.625E6, COMPOSITION(M)=1,1.365/2,1.7/3,88.14/ &
4,6.41/5,1.711/6,0.181/7,0.239/8,0.069/9,0.071/10,0.054/ &
11,0.061, NORMALIZE
PROPERTY STREAM=WATER_FEED, TEMPERATURE=80.001, PRESSURE=720, &
PHASE=M, COMPOSITION(WT,LB/D)=12,838.5
PROPERTY STREAM=LEAN_6, TEMPERATURE=130, PRESSURE=720, PHASE=M, &
RATE(LV)=600, COMPOSITION(WT)=12,1.4/13,98.6, NORMALIZE
PROPERTY STREAM=RICH_3, TEMPERATURE=170, PRESSURE=50, &
REFSTREAM=RICH_1
PROPERTY STREAM=RICY_5, TEMPERATURE=240, PRESSURE=40, &
REFSTREAM=RICH_4
PROPERTY STREAM=FG_REF, REFSTREAM=FLASH_GAS
PROPERTY STREAM=WATER_OG_REF, REFSTREAM=WATER_VAPOR
PROPERTY STREAM=DG_REF, REFSTREAM=DRY_GAS
PROPERTY STREAM=MAKEUP_TEG, REFSTREAM=TEG_CALC
UNIT OPERATIONS
FLASH UID=PREMIX, NAME=FEED MIX
FEED HC_FEED,WATER_FEED
PRODUCT V=WET_FEED
ISO TEMPERATURE=80.001, PRESSURE=720
COLUMN UID=CONTACTOR, NAME=CONTACTOR
PARAMETER TRAY=3,IO
FEED WET_FEED,3/LEAN_6,1
PRODUCT OVHD(M)=DRY_GAS, BTMS(M)=RICH_1,40, SUPERSEDE=ON
PSPEC PTOP=720
FLASH UID=FLASH_TANK, NAME=FLASH TANK
FEED RICH_3
PRODUCT V=FLASH_GAS, L=RICH_4
ADIABATIC
COLUMN UID=REGENERATOR
PARAMETER TRAY=3,IO=30
FEED RICY_5,1
PRODUCT OVHD(WT)=WATER_VAPOR,35, BTMS(M)=LEAN_1, SUPERSEDE=ON
DUTY 1,3,,REBOILER
PSPEC PTOP=0.010008, DPCOLUMN=1
SPEC ID=COL2SPEC1, TRAY=3, TEMPERATURE(F), VALUE=400
VARY DNAME=REBOILER
HX UID=LR_HX_1, NAME=LEAN-RICH 1
HOT FEED=LEAN_1, L=LEAN_2, DP=0.1
COLD FEED=RICH_4, L=RICY_5, DP=10
CONFIGURE COUNTER, TPASS=1, SPASS=1
OPER CTEMP=240
VALVE UID=LIQ_VALVE, NAME=LIQ VALVE
FEED RICH_1

PRODUCT V=RICH_2
HX UID=L-R_HX_2, NAME=LEAN-RICH 2
HOT FEED=LEAN_2, L=LEAN_3, DP=0.1
COLD FEED=RICH_2, L=RICH_3, DP=10
OPER CTEMP=170
MIXER UID=TEG_MIXER
FEED LEAN_3,MAKEUP_TEG
PRODUCT M=LEAN_4
PUMP UID=LEAN_PUMP, NAME=GLYCOL PUMP
FEED LEAN_4
PRODUCT L=LEAN_5
HX UID=LEAN_COOLER, NAME=COOLER
HOT FEED=LEAN_5, L=LEAN_6, DP=10
OPER HTEMP=130
STCALCULATOR UID=SC1
FEED FG_REF/WATER_OG_REF/DG_REF
PROD M=TEG_CALC, PRESSURE=1, TEMPERATURE=80.001
FPROD(M) 13,13,1
RPROD(M) 1,12,0
OPERATION STOP=ZERO
END
Results
The recycle loop converged in three iterations. The regenerator duty
is 0.49 MM Btu/hr, the glycol pump hydraulic horsepower is 4.6 hp
and the duties for the LR_HX1, LR_HX2, and
LEAN_COOLER heat exchangers are 0.194 MM Btu/hr, 0.235
MM Btu/hr, and 0.319 MM Btu/hr, respectively. The make-up TEG
flowrate is 0.014 lb mol/hr.
Conclusion
The natural gas stream is dehydrated from a water content of 21.5
pounds of water per MMSCF of gas to 2.6 pounds of water per
MMSCF of gas with a 10 gpm lean TEG flowrate to the contactor.
Annual TEG vaporization losses will be approximately 1995
gallons per year based on a 97% operating factor (excluding losses
due to entrainment or upsets in column operation).
Output
Partial results are shown from the simulation before.
The Flash summaries are generated from the Tools/Spreadsheet/
Flash menu selection

Figure G57: Flash Summaries
The Simple Heat Exchangers summaries are generated from the

Tools/Spreadsheet/Simple Heat Exchanger menu selection.
Figure G58: Heat Echanger Summaries
The Column summaries are extracted from the Tools/Spreadsheet/

Distillation menu selection.
Figure G59: Column Molar Flow and Temperature Summaries
The Component Flow summaries are generated using Tools/

Spreadsheet/Component Rates menu selection. This spreadsheet
was manually edited to group streams into useful balances.

Figure G60: Stream Component Flow - Flowsheet Material Balance
Figure G61: Stream Component Flow - Lean and Rich Glycol Circulation
Rates

Figure G62: Stream Component Flow - TEG Calculator Results
The Stream Properties summary are generated using

Tools/Spreadsheet/Stream Properties. This spreadsheet was edited
manually to retain all the streams that flow into equipment, and
paginated for display in this manual.

Figure G63: Stream Summary Report

Figure G64: Stream Summary Report

G8 - Gas Sweetening Using Amines

A sour natural gas feed containing 1.37 and 1.70 mole percent CO2
and H2S respectively is to be sweetened. Your job is to model an
amine treating facility designed to bring the concentration of the
acid gases in 100 MMSCFD of natural gas down to less than
5 PPM.
Process Data
The flowsheet for this problem is shown in Figure G65. The natural
gas feed stream information is given in Table G13, and the process
information in Table G141.
Component lbmole/hr
CO2 149.9254
H2S 186.7203
CH4 9680.8887
C2H6 704.0451
C3H8 187.9284
iC4H10 19.8801
nC4H10 26.2507
iC5H12 7.5787
nC5H12 7.7983
C6H14 5.9310
C7H16 6.7000
H2O 4.9745
Rate (MMSCF/hr) 4.17
Temperature (F) 100.00
Pressure (psia) 200.00
Table G14: Process Information
Absorber Pressure, psia 250.0

Absorber Pressure Drop, psia 1.0
Absorber Amine Feed MEA Concentration, % 15.0
Regenerator Pressure, psia 15.5
Regenerator Column Pressure Drop, psia 2.0
G8 - Gas Sweetening Using Amines 1-87

Figure G65: Natural Gas Sweetening
1 Ball, T., and R. Veldman, Improve Gas Treating, Chem. Eng.

Prog., vol. 87, pg. 67-72 (1991)
1-88 Gas Processing G8 - Gas Sweetening Using Amines

Methods and Data

The K-values for the system are computed using a special AMINE
thermodynamic data package. This package contains K-values for
CO2, H2S, H2O, and MEA components, while SRKM is used for
the remaining gas components. Liquid enthalpies and densities are
calculated using library values. Vapor phase properties are
calculated from SRKM.
Simulation Model
The MEA is calculated with the use of the Calculator unit operation
(you can use a Stream Calculator for the same purpose). The
Calculator uses a FORTRAN similar language to perform the
material balance. The losses from the product streams are summed
together. The MEA stream is then rate-adjusted to exactly balance
the loss. The resulting lean-amine solution is diluted to 15 wt %
MEA by adding make-up water. Here again, a Calculator unit
operation is used to calculate the correct amount of water.
The ACE (air-cooled exchanger) unit operation in design mode is
used to size the required air-cooler . A 10 degree temperature rise is
required on the air side. The air rate is adjusted using another
Calculator to achieve the required temperature rise.


Input Data
Standard English units are used for the simulation, except that
liquid volume is changed to gallons by clicking the UOM . The
components listed in the feed stream information Table G13 are
added to the component list by clicking the Component . In
addition, AIR is added to the component list to accommodate the
ACE unit. The Amine special thermodynamic package is selected
from the Thermodynamic data window which is accessed by
clicking Thermodynamics . The component threshold for
convergence is set to 0.00005 in the Recycle window by clicking
Recycle button . This allows PRO/II to test for trace
components when determining recycle convergence.
The simulation model is constructed as shown in Figure G66. The
valve, flash drum, and pump are specified according the values in
the simulation model. The simple heat exchangers are modeled
with the temperatures as shown, and with zero pressure drop.
The calculators are programmed to perform the material balances to
makeup MEA and water. CL-1 calculates the MEA makeup with
the code shown here in the calculator window. Note the necessity
to identify the streams present in the calculator for calculation
sequencing purposes.
Figure G67: Calculator Stream Sequence

Component 13 is MEA, and the losses are summed from streams 2,
5 and 8. The result is then stored in the stream mole rate for the
make up stream 11.
Similarly, calculator CL-2 computes the water makeup, then stores
the results in the makeup stream 14.
Figure G68: Calculator Stream Sequence
The ACE unit uses defaults for design purposes. The outlet
temperature is specified at 115 F. The air flow is adjusted by
calculator CL-3 to achieve the desired 15 F temperature rise.

Figure G69: Calculator for Adjusting ACE Air Flow Temperature
The absorber requires little input as there are no condenser or

reboiler duties. The IO algorithm is chosen. A product stream
initial estimate is required - in this case the overhead vapor stream 2
is estimated at 4.1700E6 scfh, a value taken from the gas feed. The
user should supply a convergence damping factor for non-ideal
systems such as amine absorbers. In this case, the value is set to
0.7.

Figure G70: Absorber Convergence Data
The regenerator has an estimated overhead product rate of 400

lbmole/hr which is roughly estimated from the acid gas in the
flowsheet feed. A damping factor of 0.4 is used. The regenerator
has both a condenser and reboiler, so there are two specifications
and variables.

Figure G71: Regenerator Column Specifications and Variables
Keyword Input File

TITLE PROJECT=APPBRIEF, PROBLEM=G8, USER=SIMSCI
DESC AMINE SWEETENING PLANT
DESC
PRINT INPUT=ALL, STREAM=ALL, RATE=M, PERCENT=WT
TOLERANCE DUTY=0.01, STREAM=,,5E-5
DIMENSION ENGLISH, LIQVOL=GAL
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/5,PROPANE/6,IBUTANE/ &
7,BUTANE/8,IPENTANE/9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,MEA/14,AIR
THERMODYNAMIC DATA
METHOD SYSTEM=AMIN, SET=AMINE, DEFAULT
STREAM DATA
RATE(GV)=4.17E6, COMPOSITION(M)=1,58.451/2,72.7961/ &
3,3774.26/4,274.484/5,73.2671/6,7.7506/7,10.2343/8,2.9547/ &
9,3.0403/10,2.3123/11,2.6121/12,1.9394, NORMALIZE
RATE(M)=16000, COMPOSITION(WT)=1,0.003/2,0.003/12,0.85/ &
13,0.15, NORMALIZE

PROPERTY STREAM=11, TEMPERATURE=90, PRESSURE=15.5, PHASE=M, &
COMPOSITION(M,LBM/H)=13,2000
PROPERTY STREAM=14, TEMPERATURE=200, PRESSURE=14.7, PHASE=M, &
PROPERTY STREAM=A1, TEMPERATURE=70, PRESSURE=14.8, PHASE=M, &
PROPERTY STREAM=10, TEMPERATURE=170, REFSTREAM=9
NAME 1,Nat Gas Feed/17,Lean Amine/11,MEA Makeup/9,Hot Ln Amine/ &
14,Water Makeup/2,Treated Gas/3,Rich Amine/5,Flash Gas/ &
8,Acid Gas
UNIT OPERATIONS
CALCULATOR UID=CL-3
SEQUENCE STREAM=A1,A2
PROCEDURE
RISE = 15
RATE1=SMR(A1)
TEMP1=STEMP(A1)
TEMP2=STEMP(A2)
RATE2=RATE1*(TEMP2-TEMP1)/RISE
CALL SRXSTR(SMR, RATE2, A1)
RETURN
COLUMN UID=CN-1, NAME=Absorber
PARAMETER TRAY=6,IO DAMPING=0.7
FEED 1,6/17,1
PRODUCT OVHD(GV)=2,4.17E6, BTMS(M)=3, SUPERSEDE=ON
PSPEC PTOP=250, DPTRAY=1
VALVE UID=V-1, NAME=PRESS VALVE
FEED 3
PRODUCT M=4
OPERATION PRESSURE=16.1
FLASH UID=F-1
FEED 4
PRODUCT V=5, L=6
ADIABATIC
HX UID=HX-1, NAME=AMINE HX1
HOT FEED=9, L=10
COLD FEED=6, L=7
OPER HTEMP=170
COLUMN UID=RG-1, NAME=Regenerator
FEED 7,5, SEPARATE
PRODUCT OVHD(M)=8,400, BTMS(M)=9, SUPERSEDE=ON
CONDENSER TYPE=PART, PRESSURE=13.5
DUTY 1,1,,CONDENSER
DUTY 2,12,,REBOILER
PSPEC PTOP=15.5, DPCOLUMN=2
ESTIMATE MODEL=CONVENTIONAL, RRATIO=3
SPEC ID=COL2SPEC1, TRAY=1, TEMPERATURE(F), VALUE=120

SPEC ID=COL2SPEC2, TRAY=12, RATE(LBM/H), PHASE=V,WET, DIVIDE, &
STREAM=9, RATE(LBM/H),TOTAL,WET, VALUE=0.5
VARY DNAME=REBOILER,CONDENSER
CALCULATOR UID=CL-2, NAME=H2O CALC
SEQUENCE STREAM=2,5,8,1,14
PROCEDURE
R(1) = SCMR(12,2)+SCMR(12,5)+SCMR(12,8)-SCMR(12,1)
CALL SRXSTR(SMR, R(1), 14)
RETURN
CALCULATOR UID=CL-1, NAME=H2O CALC
SEQUENCE STREAM=2,5,8,11
PROCEDURE
R(1) = SCMR(13,2)+SCMR(13,5)+SCMR(13,8)
CALL SRXSTR(SMR, R(1), 11)
RETURN
MIXER UID=MX-1, NAME=SURGE TANK
FEED 10,11
PRODUCT M=12
OPERATION DP=0.8
HX UID=HX-2
HOT FEED=12, L=13
OPER HTEMP=150
MIXER UID=MX-2, NAME=H2O MAKE UP
FEED 13,14
PRODUCT M=15
OPERATION DP=0
PUMP UID=PU-1, NAME=AMINE PUMP
FEED 15
PRODUCT L=16
OPERATION EFF=70, PRESSURE=260
AIRCoolHX UID=AC1
SIDE(1) FEED=16, M=17
SIDE(2) FEED=A1, M=A2
INT (1) 1,0,0,,0,,1,1,12,1,1,1,12,1,1,1,,20,1,1,10,0,,1,1, &
1,0,1,0,1,1,1,0,0,1,0,0,,2,1,1,1,1,1,2,1,1,2,1,1,, &
1,0,1,0,,,1,1,0,0,0,-1,-1
PAR (2) 200,6000,5,1,20,24,40,2,0.584,0.754,,0,1,1,29.9872, &
0.002,0,,1,0,,,0,5,14.9999,,,1,,,,,128.327,,,5,12,20, &
0.002,0,,1,0,0.010827,0.0252641,1,,,,100,,,,115,,,,,, &
,,1001.04,0,5793.14,0.6,0
END
Results
The flowsheet converged in 4 recycle iterations. The concentrations
of the acid gases CO2 and H2S were reduced from 1.37 and 1.7
mole percent in the sour gas feed to less than 1 PPM in the treated
effluent gas.

Output
The following were extracted from Tools/Spreadsheet reports:
1. Absorber column tray properties for key trays.
2. Regenerator column tray properties for key trays.
3. Stream properties for key streams.
Figure G72: Absorber Column Tray Properties

Figure G73: Regenerator Column Tray Properties

Figure G74: Stream Properties for Key Vapor Streams

Figure G75: Stream Properties for Key Liquid Streams


G9 - Steam Power Generation Loop

In many applications today, steam is used as a major source of
power. In one form of a heat engine model, the working fluid is
completely enclosed and goes through a cyclical process,
accomplished by vaporization and condensation. There are several
ways to model the conversion of heat into work by such power
cycles. The Rankine cycle is used to describe power plants that
generate saturated steam. The turbines in such plants are designed
so that the moisture formed is removed at various stages of the
process.
This gas processing application involves a Rankine cycle steam
power generation loop. You are given the assignment to perform the
calculations to predict the performance of the steam powered
engine.
After initial pressurization, water is boiled and superheated, passed
through an expander (producing the shaft work output), and
condensed using air to cool the exhaust steam back to saturated
water.
The task is to establish that, even under several constraints, the
system can produce a reasonable amount of power relative to the
base charge of flow in the loop. Additionally, needed superheater
conditions, overall efficiency, and a heat balance cross check must
be determined.
G9 - Steam Power Generation Loop 1-103

Process Data
The flowsheet is shown in Figure G76. The pump feed stream
conditions and flowsheet process conditions are also shown in this
figure.
Figure G76: Steam Power Generation Loop Flowsheet
1-104 Gas Processing G9 - Steam Power Generation Loop

Methods and Data

The only component present is water. The SRK system is chosen as
it has direct access to the steam tables if the user activates the water
options, decants the water, and sets the decanted water properties to
steam. This sets up an unusual situation. The user has requested that
water be decanted as a separate phase leaving nothing else available
for a dry basis report. Unusual, but the simulator will handle it
perfectly well by reporting not available for the dry stream
report.

Simulation Model
The charge (given as an initial estimate in the loop) is fed into a

pump. The pressurized output enters a heat exchanger (modeling
both the boiler and superheater) in which the hot side is given as a

generated heat source (no process streams given). The superheated
steam enters an isentropic expander which takes the steam down to
a lower pressure while extracting shaft work.
A flash drum follows the expander. This is not a physical flash,
rather it is a mathematical construct used to determine how much
heat must be added or removed to meet the minimum 99.5% quality
expander exhaust steam constraint. When the feedback control loop
converges, the duty will be zero. In effect, nothing happens as the
feeds flow through the unit.
A condenser completes the closed loop. It too is modeled as a heat
exchanger except a specific air cooling medium is chosen to turn
the vapor back into a liquid. The cycle repeats itself at this point.
Outside the loop are two other units. One is a calculator utility
type unit operation. The other is a feedback controller model.
The calculator takes several work and duty values and uses them to
produce results. The overall efficiency of a heat engine is given as
the amount of shaft work produced minus shaft work performed
divided by the duty of the superheater. The second calculation is an
internal cross check of the loop's energy balance. If the energy
balance is correct, then the ratio of the shaft work to the heat duty
should be unity.
The feedback controller manipulates the number of degrees of
superheat in the superheater so that the amount of heat needed in the
pseudoflash mathematical construct is zero. If the specification is
met, then the exhaust stream from the expander has achieved the
quality specification.
The questions arise Why use a pseudoflash at all? Why not just
specify the expander exhaust conditions directly? The answer lies
in a chart of exhaust steam quality versus number of degrees of
superheat as shown in Figure G78.

Figure G78: Exhaust Steam Quality vs. Number of Degrees of Superheat
(not to scale)
Notice the flat portion of the graph. If the initial estimate for the
number of degrees of superheat is too high, the controller moves in
both directions along the flat portion and determines that the
manipulated variable has no effect in achieving the specification.
Input heat to the pseudoflash versus number of degrees of superheat
looks quite different as shown in Figure G79.
Figure G79: Flash Duty vs. Number of Degrees of Superheat (not to

scale)
This function has a monotonic behavior, and the controller can

locate the point at which the needed heat is zero regardless of the
starting point. This approach adds convergence robustness in many
feedback controller problems where the specified variable, or its
first derivative is subject to discontinuities while crossing phase
boundaries.

The sequence for this calculation is provided manually to make sure
that the controller works from outside the recycle loop and the
recycle solves to closure before the controller adjusts the superheat.
However, this is not the only way to solve problems like these. Each
problem is unique and some thought and experimentation needs to
go into the nesting of calculational loops.
Input Data
Water is the only component and is specified in the component data
section . The thermodynamic set consists of SRK using
Keenan and Keyes steam tables. To enter this, select the thermo
button , and select Soave-Redlich-Kwong from the Most
Commonly Used sets and click on Modify. Click Water Options in
the Thermodynamics Data - Modification window. Select Keenan
and Keyes Steam Tables option as shown in Figure G80.
Figure G80: Thermodynamic Data - Water Options

Note that if this selection is not made, water will be calculated using
saturated water properties. This may improve computational
performance for typical refinery column simulations, but when
superheated steam is modeled, steam properties are not properly
represented.
The unit operations and streams are laid down onto the PFD as
shown in Figure G77. The Stream Condensed is specified at 100 lb-
moles/hr, 15 psia, bubble point. The pump is specified at 78%
efficiency and outlet pressure of 1750 psia. The superheater is
estimated at 500 degrees above dew point with zero pressure drop.
The expander is set to 86% adiabatic efficiency. The outlet pressure
is defined to the stream condenser pressure as shown in
Figure G81.
Figure G81: Expander - Outlet Pressure Definition
The flash unit is set to 99.5% vapor fraction with zero pressure
drop. The condenser is specified to a bubble point product with no
pressure drop. An air utility stream is specified with a temperature
rise from 90 to 110 F. The air flowrate will be calculated to achieve
this temperature rise.

Figure G82: Heat Exchanger - Cold Side Utility Conditions
The controller specifies a zero duty on the pseudo-flash unit by

adjusting the superheat.
Figure G83: Feedback Controller - Specifications
The sequence is specified through the Sequence dialog box .

Note that the controller is entered at the end of the last unit
operation. This assures that the recycle loop will be nested inside
the control loop.

Figure G84: Flowsheet Calculation Sequence
The Calculator is entered to calculate the overall thermal efficiency

and to test the heat balance.

Figure G85: Calculator - Parameter Specification
Keyword Input File

DESC Rankin cycle steam power generation loop.
DESC The controller is used a s process condition calculation tool.
DESC Basis is 100 lb-moles/hr steam/water circulation.
TOLERANCE STREAM=1E-5
SEQUENCE DEFINED=PRESSURIZER,SUPERHEATER,EXPANDER,PSEUDOFLASH, &
CONDENSER,CONTROLLER,CALCULATOR
COMPONENT DATA
LIBID 1,H2O
THERMODYNAMIC DATA
WATER PROPERTY=STEAM
STREAM DATA
PROPERTY STREAM=CONDENSED, PRESSURE=15, PHASE=L, &
NAME CONDENSED,Saturated Liquid/PRESSURIZED,High Pressure Liquid/ &
SUPERHEATED,Superheated Vapor/EXPANDED,Low Pressure Mix/ &
FLASHED,Pseudoflash Output Mix
UNIT OPERATIONS
PUMP UID=PRESSURIZER, NAME=Shaft Work Input
FEED CONDENSED
PRODUCT M=PRESSURIZED

OPERATION EFF=78, PRESSURE=1750
HX UID=SUPERHEATER, NAME=Heat from Source
COLD FEED=PRESSURIZED, M=SUPERHEATED
OPER CDTADEW=500
EXPANDER UID=EXPANDER, NAME=Shaft Work Output
FEED SUPERHEATED
PRODUCT V=EXPANDED
OPERATION EFF=86
DEFINE PRES(PSIA) AS STREAM=CONDENSED, PRESSURE(PSIA)
FLASH UID=PSEUDOFLASH, NAME=Mathematical Construct for Controller
FEED EXPANDED
PRODUCT L=FLASHED
TPSPEC
SPEC STREAM=FLASHED, VFRAC, VALUE=0.995
HX UID=CONDENSER, NAME=Heat to Sink
HOT FEED=FLASHED, M=CONDENSED
UTILITY AIR, TIN=90, TEMPERATURE=110
CONFIGURE COUNTER
OPER HLFRAC=1
CONTROLLER UID=CONTROLLER, NAME=Superheat Manipulator
SPEC FLASH=PSEUDOFLASH, DUTY(BTU/HR), VALUE=0, ATOLER=0.001
VARY HX=SUPERHEATER, CDTA(F)
CPARAMETER IPRINT, NOSTOP

CALCULATOR UID=CALCULATOR, NAME=Efficiency and Balance
RESULT 1,Overall Eta/2,Work to Heat
DEFINE P(1) AS EXPANDER=EXPANDER, WORK(BTU/HR)
DEFINE P(2) AS PUMP=PRESSURIZER, WORK(BTU/HR)
DEFINE P(3) AS HX=SUPERHEATER, DUTY(BTU/HR), TIMES,1E6
DEFINE P(4) AS HX=CONDENSER, DUTY(BTU/HR), TIMES,1E6
PROCEDURE
R(1) = ( P(1) - P(2) ) / P(3)
R(2) = ( P(1) - P(2) ) / ( P(3) - P(4) )
RETURN
END
Results
The results show that the turbine expander operating at 99.5%
efficiency produces 307.7 HP of work with a superheater cold side
outlet temperature of 1161 F and an estimated efficiency of 30.7%.
Table G15: Table of Selected Results
Parameter Value
Shaft Work (Turbine Expander) 307.7 HP (actual)
Outlet Steam Quality (Turbine Expander) 99.5%
Cold Side Outlet Temperature 1161 F
(Superheater HX)
Eta Efficiency (Efficiency and Balance 30.7%
Calculator)
Heat Balance (Efficiency and Balance 1 (cross check
Calculator) matches)
Duty (Pseudoflash Flash) 0
Conclusions
In conclusion, the results show that the plant will generate an
accetable amount of power while maintaining good overall
thermodynamic heat engine efficiency. Furthermore, these
conditions will not produce an exhaust steam output that would
result in damage to the turbine blades from suspected water
droplets.
Output
The flash drum summary output for the pseudoflash is followed by
pump and calculator summary output. Output for the reboiler and
condenser appears in the Heat Exchanger Output section.
Stream summary output is from the standard output report.

To generate the output for each unit operation, select the unit
operation, right-click and click View Results.
To generate the standard output report for the entire flowsheet, click
the Generate Report button .
Flash Drum Summary Output

Flash Drum 'PSEUDOFLASH', 'Mathematical Construct for Controller'
Feeds EXPANDED
Products FLASHED
User Input Calculated

---------- ----------
Temperature, F 213.40
Pressure, PSIA 15.00
Pressure Drop, PSI Default 0.00
Duty, MM BTU/HR 2.4513E-05
Pump Summary Output

Pump 'PRESSURIZER', 'Shaft Work Input'
Feeds CONDENSED
Products PRESSURIZED

---------- ----------
Pressure, PSIA 1750.00 1750.00
Pressure Rise, PSI 1735.00
Work, HP 4.87
Head, FT 4181.39
Efficiency 78.00 78.00
Calculator Summary Output

UNIT 7, 'CALCULATOR', 'Efficiency and Balance'
Result Name Value Result Name Value

--------- ------------ ------------ --------- ---------- -------
1 Overall Eta 3.07180E-01 3- 200 Undefined
2 Work to Heat 1.00003E+00
Parameter Value Parameter Value

--------- ------------ --------- ------------
1 7.82901E+05 4 1.73782E+06
2 1.24022E+04 5- 50 Undefined
3 2.50830E+06

Heat Exchanger Summary Output
Heat Exchanger 'SUPERHEATER', 'Heat from Source'
Feeds - Cold Side PRESSURIZED

Products - Cold Side SUPERHEATED

---------- ----------
Hot Pressure Drop, PSI 0.00
Cold Outlet Temperature, F 1161.31

Cold Pressure Drop, PSI 0.00 0.00
Cold Liquid Fraction 0.0000
Duty, MM BTU/HR 2.5083
Heat Exchanger 'CONDENSER', 'Heat to Sink'
Feeds - Hot Side FLASHED

Products - Hot Side CONDENSED

---------- ----------
Hot Outlet Temperature, F 213.40
Hot Pressure Drop, PSI 0.00 0.00
Hot Liquid Fraction 1.0000 1.0000
Cold Outlet Temperature, F 200.00

Cold Pressure Drop, PSI 0.00
Cold Liquid Fraction 0.0000
Duty, MM BTU/HR 1.7378
FT 1.00
LMTD*FT, F 41.2083
COLD SIDE UTILITY INLET OUTLET

----------- -----------
COOLING AIR, LB/HR 89220.519 89220.519

Stream Summary Output
STREAM SUMMARY
============================================================
STREAM ID CONDENSED EXPANDED FLASHED PRESSURIZED SUPEREATED
NAME Saturated Low Pressure Pseudoflash High Superheated
Liquid Mix Output Mix Pressure Vapor
Liquid WATER VAPOR
PHASE WATER MIXED MIXED WATER SRK01
THERMO ID SRK01 SRK01 SRK01 SRK01
-
----- TOTAL STREAM ----- 100.000
RATE, LB-MOL/HR 100.000 100.000 100.000 100.000 1.802
M LB/HR 1.802 1.802 1.802 1.802 1161.306
TEMPERATURE, F 213.404 213.404 213.404 216.417 1750.000
PRESSURE, PSIA 15.000 15.000 15.000 1750.000 18.015
MOLECULAR WEIGHT 18.015 18.015 18.015 18.015 2.848
ENTHALPY, MM BTU/HR 0.327 2.065 2.065 0.339 1580.766
BTU/LB 181.565 1146.190 1146.204 188.449 0.00000
MOLE FRACTION LIQUID 1.00000 0.00501 0.00500 1.00000 0.00000
----- TOTAL VAPOR ------ 100.000
RATE, LB-MOL/HR N/A 99.499 99.500 N/A 1.802
M LB/HR N/A 1.792 1.793 N/A 0.944
M FT3/HR N/A 47.155 47.156 N/A 37.948
STD VAP RATE(1), M FT3/HR N/A 37.758 37.759 N/A 18.015
MOLECULAR WEIGHT N/A 18.015 18.015 N/A 1580.766
ENTHALPY, BTU/LB N/A 1151.051 1151.051 N/A 0.600
CP, BTU/LB-F N/A 0.486 0.486 N/A 1909.178
DENSITY, LB/M FT3 N/A 38.012 38.012 N/A 0.9493
Z (FROM DENSITY) N/A 0.9842 0.9842 N/A 0.04873
THERMAL COND, BTU/HR-FT-F N/A 0.01435 0.01435 N/A 0.03385
----- TOTAL LIQUID ----- N/A
RATE, LB-MOL/HR 100.000 0.501 0.500 100.000 N/A
M LB/HR 1.802 9.033E-03 9.008E-03 1.802 N/A
FT3/HR 30.130 0.151 0.151 29.993 N/A
GAL/MIN 3.757 1.884E-02 1.878E-02 3.739 N/A
STD LIQ RATE, FT3/HR 28.886 0.145 0.144 28.886 N/A
MOLECULAR WEIGHT 18.015 18.015 18.015 18.015 N/A
ENTHALPY, BTU/LB 181.565 181.565 181.565 188.449 N/A
CP, BTU/LB-F 1.007 1.007 1.007 1.001 N/A
DENSITY, LB/FT3 59.791 59.791 59.791 60.065 N/A
Z (FROM DENSITY) 6.2571E-04 6.2571E-04 6.2571E-04 0.0723 N/A
SURFACE TENSION, DYNE/CM 59.1359 59.1359 59.1359 58.8105 N/A
TH COND, BTU/HR-FT-F 0.39246 0.39246 0.39246 0.39289 N/A
VISCOSITY, CP 0.27680 0.27680 0.27680 0.27205

Section 2: Refining
R1 - Crude Heating Curve
A flash vaporization curve is to be generated for a crude oil mixture
as the first step in the design of a crude unit. The design flowrate of
crude is 75,000 BBL/day.
Process Data
The light ends, API gravity, D2887 simulated distillation, and
molecular weight data are given in Table R1-1 through Table R1-4.
The following data needs to be entered as discussed in Input Data
section.
Table R1-1: Light Ends
Component LV Percent on Crude

Ethane 0.1
Propane 1.4
I-Butane 0.65
N-Butane 3.15
N-Pentane 5.1
Table R1-2: Gravity
Mid.Weight Percent API

8.33 80.01
16.89 62.9
34.80 50.6
55.47 38.2
80.10 27.5
Table R1-3: Simulated Distillation (ASTM D2887)
Mid.Weight Percent Temperature (F)

5.74 135
19.55 210
35.89 370
60.04 565
69.82 665
R1 - Crude Heating Curve 2-119

78.38 800
87.94 990
Table R1-4: Molecular Weight Data
Mid.Weight Percent Temperature (F)

18.92 99.5
33.39 135
48.41 184.7
69.8 334.8
100 789
Average 162.9
Figure R1-1: Simulation Model
Methods and Data

The simulated distillation at 760 mmHg is represented by ASTM
D2887 option. Petroleum product assayed with the D2887
procedure can be input as D2887 and will then use the API D2887-
TBP interconversion procedure. However, the API recommends
that crudes and other wide-boiling mixtures assayed with D2887 be
represented by TBP weight percent at 760 mmHg which will be
used here. The BK10 thermodynamic system is selected for the
calculation.This system is fast and easy and provides good results
2-120 Refining R1 - Crude Heating Curve

for low pressure crude systems. The Grayson-Streed system may
also be used and this typically predicts slightly more vaporization.
The transport properties are predicted using the PETRO method
except for liquid viscosity, where the Lohrenz-Bray-Clark method
is selected.
A TBPCUTS statement is used to reduce the number of
pseudocomponents, while allowing enough pseudocomponents to
represent the fractionation. This could be useful in some CPU
intensive simulations, where calculation time can be reduced with
fewer components without forfeiture in model fidelity. This is NOT
a good strategy for distillation simulations that depend on a finer
level of granularity to achieve separation specifications.
Table R1-5: TBP Cutpoints
Temperature Range (F) Number of Cuts

100 - 300 8
300 - 600 10
600 - 900 6
900 - 1500 6
Number of Cuts 30
Simulation Model
The HCURVE unit is used to compute 50 points at even enthalpy
increments over the range of temperature and pressure conditions
given in Table R1-6.
Table R1-6: Process Conditions
Temperature (F) Pressure (Psia)

Initial Condition 375 300
Final Condition 690 50
Input Data
Click Component to view SIMSCI - Component Selection
dialog box. Select and list the component slate.
Note: Pseudocomponents will be defined, when the stream assay
data are supplied.

Figure R1-2: Pure Component Selection
Click Assay Cutpoints to view SIMCI Assay Cutpoints and

Characterization dialog box. Click Modify Primary Set to enter
the cutpoints.
Figure R1-3: TBP Cutpoint Definition
Specify the thermodynamic set in SIMSCI - Thermodynamic Data

dialog box by clicking Thermodynamics . Then lay down a
Heating /Cooling curve unit operation and a stream as shown in
Figure R1-1.

To enter the stream data, double-click on the stream and select
Petroleum Assay from the list box. Click on the Flowrate and
Assay to view Stream Data Flowrate and Assay dialog box. Enter
the flowrate of 75,000 bbl/day.
Figure R1-4: Stream Data - Flowrate and Assay
Note: when you re-enter this window, the flowrate will be 3,125
bbl/hr. The default time unit for this simulation is in hours.
Click Define/Edit Assay and enter the assay data in Stream Data -
Assay Definition dialog box. D2887 and gravity data are entered as
shown in Figure R1-5. Click Molecular Weight and Lightends and
enter the relevant data given in Table R1-2 and Table R1-4.

Figure R1-5: Assay Stream Definition
Click OK to return back to PFD. A dialog box pops up to inform

that the assay components have been generated. Users can verify
this by going to SIMSCI - Components Selection dialog box.
Figure R1-6: Component Selection
Next, lay down a Heating/Cooling Curve unit operation on the PFD.

Double-click on the unit to view Heating/Cooling Curves dialog
box.

Figure R1-7: Heating/Cooling Curves
Select the stream to be evaluated and click Enter Data to view

Heating/Cooling Curve for Flowsheet Stream dialog box. Enter the
data and select the options as shown in Figure R1-8.
Figure R1-8: Heating/Cooling Curve

Keyword Input
TITLE PROJECT=R1, PROBLEM=APPBRIEFS, USER=SIMSCI
DESC CRUDE OIL HEATING CURVE
PRINT INPUT=ALL, STREAM=ALL, RATE=M, TBP
DIMENSION ENGLISH, LIQVOL=BBL, XDENSITY=API
COMPONENT DATA
LIBID 1,ETHANE/2,PROPANE/3,IBUTANE/4,BUTANE/5,PENTANE
CUTPOINTS TBPCUTS=100,300,8/600.001,10/900,6/1500.01,6/1500.01,6,
THERMODYNAMIC DATA
METHOD SYSTEM=BK10, TRANSPORT=PETR, VISCOSITY(L)=LBC
STREAM DATA
RATE(LV)=3125.01, ASSAY=WT
D2887 STREAM=1, DATA=5.74,135/19.55,210/35.89,370/60.04,565/ &
69.82,665/78.38,800/87.94,990, TEMP=F
API STREAM=1, AVERAGE=45.37, DATA=8.33,80.01/16.89,62.9/ &
34.8,50.6/55.47,38.2/80.1,27.5
LIGHTEND STREAM=1, COMPOSITION(M)=1,0.1/2,1.4/3,0.65/4,3.15/ &
5,5.1, PERCENT(WT)=10.4, NORMALIZE
MW STREAM=1, AVG=162.9, DATA=18.92,99.5/33.4,135/48.4,184.7/ &
69.8,334.8/100,789
NAME 1,CRUDE FEED
UNIT OPERATIONS
HCURVE UID=HC1, NAME=HEATING CRV
ADIABATIC STREAM=1, TEMP=375,690, PRES=300,50, POINTS=50
PROPERTY ALL
END
Results
The following charts were generated using PRO/II's Spreadsheet
Tools utilities. To generate these, run the simulation and generate
output reports using the Report Generator . Next, click
Tools/Spreadsheet/Heating curve.
Note: Select the Heating/Cooling Curve unit operation before
generating the heating curve by clicking Tools/Spreadsheet/
Heating curve. PRO/II plotting defaults were set to Excel and
some minor reformatting was done in Excel for this publication.

Figure R1-9: Liquid Fraction and Latent Heat Plot
Figure R1-10: Pressure and Enthalphy Plot

Figure R1-11: Density Plot
Figure R1-12: Viscosity Plot

R2 - De-IsoButanizer Tower
This example illustrates, designing a deisobutanizer for separating
isobutane and its lighter component from butane and its heavier
feed. It has a volumetric reflux ratio of 4.5 with respect to feed and
25 percent by volume of the feed recovered as overhead product. A
condensing curve is to be added for the preliminary condenser
design.
Process Data
The flowsheet and process conditions are given in Figure R2-1.
Figure R2-1: Debutanizer Process Conditions
R2 - De-IsoButanizer Tower Refining 2-129

Methods and Data

The Grayson-Streed method has been chosen to calculate K-values.
Most hydrocarbon refinery simulations with components ranging
from propane through gas oils are handled well with the Grayson-
Streed method. Lee-Kesler enthalpies and densities are chosen as it
gives good experimental match with simulation hydrocarbon
systems.
Simulation Model
The column is modeled as an ordinary distillation column with 66
theoretical stages including the condenser and reboiler. The feed is
introduced on tray 35. The condenser is modeled as a total
condenser at a temperature 10 F below the calculated bubble point.
The reboiler and condenser duties are varied to meet the
specifications.
The simulation uses the initial estimate generator model
CONVENTIONAL to generate temperature and flow profiles. This
model is recommended for conventional columns with reboiler and
condensers.
A heating/cooling curve is added to create the condensing curve.
Twenty one points will be evaluated (dividing the curve into 20
segments).
Note: Equal enthalpy/pressure increments are selected, whenever
phase change is expected in the system. This increment will provide
a superior representation of the actual process conditions than equal
temperature/pressure increments.
Input Data
The program uses English units (default) for all the parameters. To
change the liquid volume units from API barrels to cubic feet. Click
on the UOM to make the desired change.
Click Component to view SIMSCI - Component Selection
dialog box. Select and list the component slate.
2-130 Refining R2 - De-IsoButanizer Tower

Figure R2-2: Pure Component Selection
Click Thermodynamics on the toolbar and select the Grayson-

Streed system of methods. Click Modify.. to view Thermodynamic
Data - Modification dialog box to override the enthalpy methods
with Lee-Kesler as shown in Figure R2-3.

Figure R2-3: Thermodynamic Methods
Lay down a column on to the PFD and connect it as shown in

Figure R2-1. When droping a column, a dialog pops up requesting
the following:
n Number of Theoretical Trays - Enter 66 to this field, which
includes both condenser and reboiler. By default, condenser
and reboiler is checked in the dialog box to get included in the
column configuration.

Figure R2-4: Column Configuration
Double-click on the column unit operation to view Column dialog

box.
Click Pressure Profile on the Column window to view Column

- Pressure Profile dialog box. Enter the pressure profile data as
shown in Figure R2-5.
Figure R2-5: Pressure Profile
In this example, the feed is located on tray 35. Lay down a feed
stream and double-click the stream to view Flowrate and

Composition dialog box. Enter the data as shown in Figure R2-
6.
Figure R2-6: Flowrate and Composition
Click Feed and Products on the column window to view Feed

and Products dialog box. Enter the Feed and Products data as
shown in Figure R2-7. The column requires an initial estimate
for one of the products. On a simple column such as this
deisobutanizer, it is not important to provide a particularly
good estimate, but in more complex columns it may be
important to supply a good estimate to achieve convergence.
Enter 1200 lbmol/hr for the bottoms rate. Click OK to return to
the main Column Data Entry Window after entering the data.

Figure R2-7: Feed and Products
Click Condenser in the column window to open the Condenser

dialog. Enter the data shown in Figure R2-8. The condenser
operates at 10 F below bubble point.
Figure R2-8: Column Condenser Data

Click Performance Specification on the column window to
view Performance Specification dialog box. Enter the data as
Enter the recovery specs as shown in Figure R2-9. The
recovery of isobutane in the overhead is 95% at a liquid volume
reflux ratio of 4.5 with respect to feed.
Figure R2-9: Column Condenser Data
This completes the essential data for the column. Next, lay down a
heating/cooling curve on the flowsheet.
Double-click on the heating/cooling curve and select the
column under Units to be Evaluated. Click Enter Data to
view Heating/Cooling Curve for Column Internal Streams
dialog box. Here, select condenser, equal enthalpy and pressure
increments from the respective list. Enter the evaluation points
as 21 as shown in the Figure R2-10.

Figure R2-10: Condensing Curve Data
Keyword Input
COMPONENT DATA
LIBID 1,PROPANE/2,IBUTANE/3,BUTANE/4,IPENTANE
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY(L)=LK, ENTHALPY(V)=LK
STREAM DATA
RATE(LV)=629.999, COMPOSITION(LV)=1,1.4/2,33.8/3,64.6/4,0.2
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
UNIT OPERATIONS
COLUMN UID=T-1, NAME=DEISOBUT
FEED 1,35
PRODUCT OVHD(M)=2, BTMS(M)=3,1200, SUPERSEDE=ON

CONDENSER TYPE=DTB, PRESSURE=140, DT=10
DUTY 1,1,,CONDENSER
DUTY 2,66,,REBOILER
PSPEC PTOP=145, DPCOLUMN=8.5
PRINT PROPTABLE=BRIEF, ITERATION=NONE, PROFILE=NONE
SPEC ID=COL1SPEC1, STREAM=2, RATE(LV,BBL/H), COMP=2,WET, &
DIVIDE, STREAM=1, RATE(LV,BBL/H), COMP=2,WET, &
VALUE=0.95, RTOLER=0.0001
SPEC ID=COL1SPEC2, TRAY=1, RATE(LV,BBL/H), PHASE=L,WET, DIVIDE,
&
STREAM=1, RATE(LV,BBL/H),TOTAL,WET, VALUE=4.5
VARY DNAME=CONDENSER,REBOILER
HCURVE UID=H1, NAME=Condenser Curve
ADIABATIC COLUMN=T-1, HEAT=1, POINTS=21
END
Results
The column material balance results are shown in Figure R2-11.
Figure R2-11: Column Material Balance

Click Generate Report on the toolbar will generate the entire
flowsheet report.
Column Summary
Rigorous Column 'T-1', 'DEISOBUT'
ITERATIONS, MAXIMUM PER TRIAL 15

TOTAL ALL TRIALS 5
COLUMN SUMMARY

DEG F PSIA LB-MOL/HR MM BTU/HR
------ -------- -------- -------- -------- ------ -------- -------
1C 135.0 140.00 9715.4 729.9L -76.9704
2 150.0 145.00 10406.7 10445.3
3 151.2 145.13 10425.9 11136.6
4 151.9 145.27 10435.1 11155.8
5 152.3 145.40 10439.0 11165.0
6 152.5 145.53 10440.1 11168.9
7 152.7 145.66 10439.5 11170.0
8 152.9 145.80 10437.9 11169.4
9 153.1 145.93 10435.3 11167.7
10 153.3 146.06 10432.0 11165.2
11 153.5 146.20 10427.9 11161.9
12 153.7 146.33 10422.9 11157.7
13 154.0 146.46 10417.0 11152.7
14 154.2 146.59 10410.1 11146.8
15 154.5 146.73 10402.1 11139.9
16 154.8 146.86 10392.9 11131.9
17 155.2 146.99 10382.5 11122.8
18 155.5 147.13 10370.8 11112.4
19 155.9 147.26 10357.8 11100.7
20 156.4 147.39 10343.4 11087.6
21 156.9 147.52 10327.7 11073.3
22 157.4 147.66 10310.6 11057.5
23 158.0 147.79 10292.4 11040.5
24 158.6 147.92 10273.2 11022.3
25 159.2 148.05 10253.1 11003.1
26 159.9 148.19 10232.4 10983.0
27 160.6 148.32 10211.4 10962.3
28 161.3 148.45 10190.4 10941.3
29 162.0 148.59 10169.7 10920.3
30 162.8 148.72 10149.6 10899.6
31 163.5 148.85 10130.4 10879.5
32 164.2 148.98 10112.3 10860.3
33 165.0 149.12 10095.4 10842.2
34 165.7 149.25 10079.8 10825.3
35 166.3 149.38 12595.1 10809.7 2197.4L
36 166.7 149.52 12596.2 11127.6
37 167.0 149.65 12595.2 11128.7

38 167.3 149.78 12592.8 11127.7
39 167.6 149.91 12589.4 11125.3
40 168.0 150.05 12585.1 11121.9
41 168.3 150.18 12580.1 11117.6
42 168.7 150.31 12574.3 11112.5
43 169.1 150.45 12568.0 11106.8
44 169.5 150.58 12561.2 11100.5
45 169.9 150.71 12553.8 11093.6
46 170.4 150.84 12546.1 11086.3
47 170.9 150.98 12538.2 11078.6
48 171.4 151.11 12530.1 11070.6
49 172.0 151.24 12522.0 11062.5
50 172.5 151.37 12514.0 11054.5
51 173.1 151.51 12506.3 11046.5
52 173.6 151.64 12499.1 11038.8
53 174.2 151.77 12492.3 11031.5
54 174.7 151.91 12486.1 11024.7
55 175.3 152.04 12480.6 11018.5
56 175.8 152.17 12475.7 11013.0
57 176.3 152.30 12471.6 11008.2
58 176.8 152.44 12468.2 11004.1
59 177.3 152.57 12465.5 11000.7
60 177.7 152.70 12463.4 10998.0
61 178.1 152.84 12461.9 10995.9
62 178.5 152.97 12460.8 10994.4
63 178.8 153.10 12460.1 10993.3
64 179.1 153.23 12459.2 10992.5
65 179.5 153.37 12457.8 10991.7
66R 179.8 153.50 10990.2 1467.5L 79.0551

----- ------------ ------ ---- ---- ------ ----------- ----------
FEED 1 LIQUID 35 1.0000 2197.42 8.4646
PROD 2 LIQUID 1 729.87 2.6085
PROD 3 LIQUID 66 1467.54 7.9418
OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) -9.2520E-12

SPECIFICATIONS
SPECIFICATION PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALC

------------- --------- --- ------ ------------- -------- --------
1 (ACTIVE) STRM 2 1 2 LV RATIO 9.500E-01 9.500E-01
2 (ACTIVE) TRAY LIQ 1 LV RATIO 4.500E+00 4.500E+00
Currently using rigorous calculations

Click Output/Generate Plots/Column from the menu bar to obtain
a graphical representation of the profiles as shown in Figure R2-12.
Figure R2-12: Condensing Curve
Note: The condenser curve is available in table format in the

standard output report.

UNIT 2, 'H1', 'Condenser Curve'
ADIABATIC COOLING CURVE FOR UNIT 1, 'T-1 ', HEATER NO. 1, TRAY NO. 1
TOTAL DUTY = -7.69700E+01 MM BTU/HR
- MOLAR FLOW RATE -- ------------ ENTHALPY ------------

TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID WATER TOTAL
F PSIA M LB-MOL/HR MM BTU/HR
------ ------- ------ ------ ------ ------- ------- ------- -------
D 149.98 145.000 10.445 0.000 0.000 114.3008 0.0000 0.0000 114.3008
149.78 144.750 9.889 0.556 0.000 108.1523 2.3003 0.0000 110.4526
149.58 144.500 9.334 1.111 0.000 102.0153 4.5890 0.0000 106.6043
149.37 144.250 8.779 1.666 0.000 95.8896 6.8661 0.0000 102.7557
149.16 144.000 8.225 2.221 0.000 89.7762 9.1310 0.0000 98.9072
148.95 143.750 7.671 2.774 0.000 83.6752 11.3835 0.0000 95.0587
148.73 143.500 7.118 3.327 0.000 77.5872 13.6230 0.0000 91.2102
148.50 143.250 6.566 3.880 0.000 71.5126 15.8492 0.0000 87.3618
148.27 143.000 6.014 4.431 0.000 65.4518 18.0615 0.0000 83.5133
148.03 142.750 5.463 4.983 0.000 59.4054 20.2593 0.0000 79.6647
147.79 142.500 4.912 5.533 0.000 53.3737 22.4422 0.0000 75.8159
147.53 142.250 4.363 6.083 0.000 47.3589 24.6088 0.0000 71.9677
147.27 142.000 3.814 6.632 0.000 41.3603 26.7590 0.0000 68.1192
147.00 141.750 3.265 7.180 0.000 35.3793 28.8914 0.0000 64.2708
146.72 141.500 2.718 7.727 0.000 29.4165 31.0054 0.0000 60.4219
146.43 141.250 2.171 8.274 0.000 23.4742 33.0992 0.0000 56.5734
146.13 141.000 1.626 8.820 0.000 17.5532 35.1717 0.0000 52.7249
145.81 140.750 1.081 9.365 0.000 11.6550 37.2213 0.0000 48.8763
145.48 140.500 0.537 9.908 0.000 5.7819 39.2461 0.0000 45.0279
B 145.20 140.375 0.000 10.445 0.000 0.0000 41.2480 0.0000 41.2480
145.02 140.250 0.000 10.445 0.000 0.0000 41.1793 0.0000 41.1793
135.00 140.000 0.000 10.445 0.000 0.0000 37.3308 0.0000 37.3308
UNIT 2, 'H1', 'Condenser Curve' (Cont)
-- WEIGHT FLOW RATE -- MOLECULAR WEIGHT DRY STD SPGR

TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID VAPOR LIQUID
F PSIA M LB/HR (AIR=1.0)
------ ------- ------ ------ ------ ------- ------- ------- -------
149.98 145.000 600.00 0.00 0.00 57.44 0.00 1.9832 0.0000
149.78 144.750 567.88 32.12 0.00 57.42 57.76 1.9826 0.5633
149.58 144.500 535.81 64.19 0.00 57.40 57.75 1.9819 0.5633
149.37 144.250 503.78 96.22 0.00 57.38 57.74 1.9812 0.5633
149.16 144.000 471.80 128.20 0.00 57.36 57.73 1.9805 0.5632
148.95 143.750 439.87 160.13 0.00 57.34 57.72 1.9797 0.5632
148.73 143.500 407.99 192.01 0.00 57.32 57.71 1.9789 0.5631
148.50 143.250 376.16 223.84 0.00 57.29 57.69 1.9781 0.5631
148.27 143.000 344.39 255.61 0.00 57.27 57.68 1.9771 0.5630
148.03 142.750 312.67 287.32 0.00 57.24 57.67 1.9762 0.5630
147.79 142.500 281.02 318.98 0.00 57.21 57.65 1.9751 0.5629
147.53 142.250 249.43 350.56 0.00 57.18 57.63 1.9740 0.5629
147.27 142.000 217.92 382.08 0.00 57.14 57.62 1.9728 0.5628
147.00 141.750 186.47 413.53 0.00 57.10 57.60 1.9716 0.5627

146.72 141.500 155.10 444.90 0.00 57.06 57.57 1.9702 0.5626
146.43 141.250 123.82 476.18 0.00 57.02 57.55 1.9687 0.5626
146.13 141.000 92.62 507.38 0.00 56.98 57.53 1.9671 0.5625
145.81 140.750 61.52 538.47 0.00 56.93 57.50 1.9654 0.5624
145.48 140.500 30.53 569.46 0.00 56.87 57.47 1.9636 0.5623
145.20 140.375 0.00 600.00 0.00 0.00 57.44 0.0000 0.5622
145.02 140.250 0.00 600.00 0.00 0.00 57.44 0.0000 0.5622
135.00 140.000 0.00 600.00 0.00 0.00 57.44 0.0000 0.5622
UNIT 2, 'H1', 'Condenser Curve' (Cont)
TEMP PRES MOLE FRACTION WEIGHT FRACTION DRY LV FRACTION

F PSIA VAPOR LIQUID VAPOR LIQUID VAPOR LIQUID
------ ------- -------- -------- -------- -------- -------- --------
149.98 145.000 1.0000 0.0000 1.0000 0.0000 1.0000 0.0000
149.78 144.750 0.9468 0.0532 0.9465 0.0535 0.9466 0.0534
149.58 144.500 0.8936 0.1064 0.8930 0.1070 0.8932 0.1068
149.37 144.250 0.8405 0.1595 0.8396 0.1604 0.8400 0.1600
149.16 144.000 0.7874 0.2126 0.7863 0.2137 0.7867 0.2133
148.95 143.750 0.7344 0.2656 0.7331 0.2669 0.7336 0.2664
148.73 143.500 0.6815 0.3185 0.6800 0.3200 0.6805 0.3195
148.50 143.250 0.6286 0.3714 0.6269 0.3731 0.6275 0.3725
148.27 143.000 0.5757 0.4243 0.5740 0.4260 0.5746 0.4254
148.03 142.750 0.5230 0.4770 0.5211 0.4789 0.5218 0.4782
147.79 142.500 0.4703 0.5297 0.4684 0.5316 0.4691 0.5309
147.53 142.250 0.4177 0.5823 0.4157 0.5843 0.4164 0.5836
147.27 142.000 0.3651 0.6349 0.3632 0.6368 0.3639 0.6361
147.00 141.750 0.3126 0.6874 0.3108 0.6892 0.3115 0.6885
146.72 141.500 0.2602 0.7398 0.2585 0.7415 0.2591 0.7409
146.43 141.250 0.2079 0.7921 0.2064 0.7936 0.2069 0.7931
146.13 141.000 0.1556 0.8444 0.1544 0.8456 0.1548 0.8452
145.81 140.750 0.1035 0.8965 0.1025 0.8975 0.1029 0.8971
145.48 140.500 0.0514 0.9486 0.0509 0.9491 0.0511 0.9489
145.20 140.375 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
145.02 140.250 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
135.00 140.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000

R2A - DeIsoButanizer Revamp

The deisobutanizer in R2 is used to create isobutane feed for an
alkylation unit. The propane is an undesirable impurity as it dilutes
the reactants and increases volatility in the reactor. You want to
know if the same tower can be used to produce sales-grade (90%)
propane thereby removing it from the isobutane stream.
The following steps will be taken to make that determination:
1. Rerun the deisobutanizer with tray rating turned on to establish
a baseline hydraulics profile. The goal is to end with a
revamped column that does not exceed the tray loading cur-
rently in existence.
2. Add a draw tray to tray 10 for the isobutane product. Shift the
95% isobutane recovery spec to the side draw. Specify a 90%
molar propane purity spec. Replace the reflux spec with a fixed
reboiler duty equal to the duty of the first simulation. This
guarantees that the tray loading in the column will be nearly the
same. Then rerun and inspect the results.
3. Make necessary adjustments and rerun.
R2A Process Data
The tray internals for the column are given in Table R2-1.
Table R2-1: Tray Hydraulic Data for Deisobutanizer Column
Type Valve
Diameter 162 inches
Tray Spacing 24 inches
Number of flow paths 4
Deck thickness 14 guage
System Load Factor 1.0
Number of valves/trays 1170
Valve diameter default
Valve wall thickness default
Valve material default
Weir height 2 inches
Downcomer clearence 1.5 inches
Downcomer widths
Side 13.5 inches
2-144 Refining R2A - DeIsoButanizer Revamp

Center 10.15 inches

Off Center 11.35 inches
R2A Input Data

The tray hydraulic data is entered by double-clicking the column,
then click on Tray Hydraulics. Select Trays and Rating, then click
on Enter Data.
Figure R2-13: Tray Hydraulic Data for Baseline case
R2A Keyword Input

TITLE PROJECT=R2A, PROBLEM=APPBRIEFS, USER=SIMSCI
DESC Base case R2 plus tray rating.
COMPONENT DATA
LIBID 1,PROPANE/ 2,IBUTANE/ 3,BUTANE/ 4,IPENTANE
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY(L)=LK, ENTHALPY(V)=LK
STREAM DATA
R2A - DeIsoButanizer Revamp Refining 2-145

PROPERTY STREAM=FEED, TEMPERATURE=140, PRESSURE=200, PHASE=M, &
UNIT OPERATIONS
FEED FEED,35
PRODUCT BTMS(M)=NBUTANE, LDRAW(M)=IBUTANE,10,700, &
OVHD(M)=PROPANE,25, SUPERSEDE=ON
CONDENSER TYPE=PART, PRESSURE=140
DUTY 1,1,,CONDENSER
DUTY 2,66,79.0549,REBOILER
ESTIMATE MODEL=CONVENTIONAL, REFLUX=10500
SPEC ID=COL1SPEC1, STREAM=IBUTANE, RATE(LV,BBL/H), COMP=2,WET, &
DIVIDE, STREAM=FEED, RATE(LV,BBL/H), COMP=2,WET, &
SPEC ID=COL1SPEC4, STREAM=PROPANE,FRACTION, COMP=1,WET, &
VALUE=0.9
VARY DNAME=CONDENSER
VARY DRAW=IBUTANE
TRATE SECTION(1)=2,65,V1, PASSES=4, DIAMETER(TRAY)=162, &
NUMBER(VALVES)=1170, DIAMETER(VALVE,IN)=1.875, &
WEIR=2, DCC=1.5, DCW=13.5,10.15,11.35
HX UID=E1
HOT FEED=PROPANE, M=LIQ_PROPANE, DP=5
OPER HLFRAC=1
END
R2A Results
After executing, generate the output report and see that the column
loading is acceptable based on Flooding Factor and Downcomer
Backup. Selected trays of output are shown below:
TRAY RATING RESULTS
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, PCT
---- ----- ------ ----- ------ ---- ------ -------- ------------
2 112.9 2446. 26.34 162.0 73.6 0.082 4.5 36.30
3 113.0 2459. 26.43 162.0 73.9 0.082 4.6 36.44
18 111.4 2453. 26.22 162.0 73.4 0.081 4.5 36.22

19 111.3 2449. 26.18 162.0 73.3 0.081 4.5 36.17
34 108.8 2372. 25.50 162.0 71.3 0.079 4.4 35.17
35 111.9 2964. 26.25 162.0 75.8 0.085 5.5 38.94
62 109.9 2935. 25.87 162.0 74.8 0.083 5.4 38.45

63 109.9 2935. 25.86 162.0 74.8 0.083 5.4 38.45
64 109.8 2935. 25.86 162.0 74.8 0.083 5.4 38.45
65 109.8 2935. 25.85 162.0 74.8 0.083 5.4 38.44
R2B Process Data

Now to simulate the revamped flowsheet: The side draw is added
to tray 10, and is specified to recover 95% of the isobutane. The
overhead product is now a vapor (instead of 10 F subcooled), and
will be specified to be 90% (mole) propane. The reboiler duty is
fixed at 79.055 MM Btu/hr (the result from the baseline run). A
new bubble point condenser with 5 psi pressure drop is added since
it's desired that the propane be a liquid product. Also, as we add
more streams, it makes sense to start naming them that is easy to
remember.
Figure R2-14: Revamped Flowsheet
R2B Keyword Input File

TITLE PROJECT=R2A - C3, PROBLEM=APPBRIEFS, USER=SIMSCI
DESC R2 with propane off-gas
COMPONENT DATA
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY(L)=LK, ENTHALPY(V)=LK, SET=GS01
STREAM DATA

NAME FEED,FEED/PROPANE,OVERHEAD/NBUTANE,BOTTOMS
UNIT OPERATIONS
FEED FEED,35
CONDENSER TYPE=PART, PRESSURE=140
DUTY 1,1,,CONDENSER
SPEC ID=COL1SPEC1, STREAM=IBUTANE, RATE(LV,BBL/H), COMP=2,WET, &
DIVIDE, STREAM=FEED, RATE(LV,BBL/H), COMP=2,WET, &
SPEC(CHANGE) TRAY=1, RATE(LV,BBL/H), PHASE=L,WET, DIVIDE, &
STREAM=FEED, RATE(LV,BBL/H),TOTAL,WET, VALUE=4.5
SPEC(CHANGE) STREAM=PROPANE, RATE(LBM/H),TOTAL,WET, VALUE=25
SPEC ID=COL1SPEC4, STREAM=PROPANE,FRACTION, COMP=1,WET, &
VALUE=0.9
VARY DRAW=IBUTANE
WEIR=2, DCC=1.5, DCW=13.5,10.15,11.35
HX UID=C3_CONDENSER
OPER HLFRAC=1
END
R2B Results
The following data taken from PRO/II Stream Property Tables
compares the product streams for the deisobutanizer simulator with
and without the propane product.
Table R2-2: Base Case Stream Propertirs of Product Streams
Stream Name IBUTANE NBUTANE

Stream Description OVERHEAD BOTTOMS
Phase Liquid Liquid
Temperature F 134.9934 179.7719
Pressure PSIA 140.0000 153.500
Enthalphy MMBTU/HR 2.6081 7.9424
Molcular Weight 57.4418 58.1600
Mole Fraction Vapor 0.0000 0.0000

Mole Fraction Liquid 1.0000 1.0000

Rate LB-MOL/HR 729.774 1467.641
Fluid Rates LB-MOL/HR

PROPANE 35.4591 0.0000
IBUTANE 687.8223 36.2033
BUTANE 6.4927 4127.6072
IPENTANE 0.0000 3.8309
Table R2-3: Revamp Case Stream Properties of Product Streams

Stream Name PROPANE LIQ_PROPANE IBUTANE NBUTANE
Stream Description OVER CONDENSED SIDE BOTTOMS
Phase HEAD Liquid DRAW Liquid
Vapor Liquid
Temperature F 89.9904 82.2008 152.4805 179.7719
Pressure PSIA 140.000 135.0000 146.0625 153.500
Enthalphy MMBTU/HR 0.2588 0.0475 3.0526 7.9424
Molcular Weight 45.4990 45.4990 57.9961 58.1600
Mole Fraction Vapor 1.0000 0.0000 0.0000 0.0000
Mole Fraction Liquid 0.0000 1.0000 1.0000 1.0000
Rate LB-MOL/HR 32.162 32.162 717.657 1447.597
Fluid Rates LB-MOL/HR

PROPANE 28.9464 28.9464 6.5127 0.0000
IBUTANE 3.2053 3.2053 687.8271 32.9933
BUTANE 0.0105 0.0105 23.3170 1410.7725
IPENTANE 0.0000 0.0000 0.0000 3.8309
Comparing the two cases, the propane is produced at the expense of

normal butane bottoms. Note that the normal butane isn't lost - it
will still end up with the alkylate and ultimately used in RVP
blending. Around 32.2 moles/hour of sellable LPG is produced
overhead. As specified, the same amount of isobutane is recovered
for both cases.

R2C Process Data

Adjustments to the Revamp Case are as follows:
One result that immediately becomes apparent is the condenser
temperature has dropped considerably due to the dew point of the
propane stream being much lower than the bubble point of the
original isobutane product. Further condensing the propane to LPG
product will require a process temperature of 82.2 F. Depending on
location, this is probably an unacceptable temperature. For the sake
of this exercise, let's assume that, in the absence of refrigeration, the
refinery policy is to allow design of process stream cooling to a
minimum of 100 F. An easy way to determine the process pressure
required would be to take the lowest boiling product stream and
calculate the TVP at 100 F. We can easily add a TVP flag to the
propane product by 1) creating a stream property list with TVP on
it, and 2) editing the display to include that list. The resulting PFD
fragment looks like this:
Figure R2-15: Revamp Case Stream Properties of Product Streams
With a TVP of 173.3 psia, a good design pressure for the propane
condenser would be 175 psia. Working backwards, retaining the
same pressure drops that is used in the base case, the deisobutanizer
condenser is at 180 psia, and the top of the column is at 185 psia.
Inserting these new conditions results in a simulation with the
following specifications
Table R2-4: Specifications for Adjusted Revamp Case
Pressure Valve
Condenser 180 psia
Top 185 psia
Column Pressure Drop 8.5 psi

Specifications
Reboiler duty 79.055 MM Btu/hr
Isobutane recovery 95%
Propane purity 90% (molar)
R2C Keyword Input

TITLE PROJECT=R2A HP, PROBLEM=APPBRIEFS, USER=SIMSCI
DESC R2 with C3 product pressure elevated for 100 F condenser.
COMPONENT DATA
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY(L)=LK, ENTHALPY(V)=LK, SET=GS01
STREAM DATA
NAME FEED,FEED/PROPANE,OVERHEAD/NBUTANE,BOTTOMS
UNIT OPERATIONS
FEED FEED,35
CONDENSER TYPE=MIX, PRESSURE=180
DUTY 1,1,,CONDENSER
SPEC ID=COL1SPEC1, STREAM=IBUTANE, RATE(LV,BBL/H), COMP=2, &
WET, DIVIDE, STREAM=FEED, RATE(LV,BBL/H), COMP=2,WET, &
SPEC ID=COL1SPEC4, STREAM=PROPANE,FRACTION, COMP=1,VALUE=0.9
VARY DRAW=IBUTANE
WEIR=2, DCC=1.5, DCW=13.5,10.15,11.35
HX UID=E1
OPER HLFRAC=1
END

R2C Results
Figure R2-16 shows the Stream Property Table report for the
product streams at the adjusted column operating pressure.
Figure R2-16: Adjusted Revamp Case Stream Properties of Product

Streams
Table R2-5 compares important operational differences between the

base case and the adjusted revamped case.
Table R2-5: Base Case vs. Revamped Case
Property Base Case Adjusted Revamp

Case
Condenser temperature, F 135.0 107.8
Condenser pressure, psia 140 180
Condenser duty (column), MM 77.0 74.8
Btu/hr
Condenser duty (propane) -- 0.18
Reboiler temperature, F 179.8 198.5
Reboiler pressure, psia 153.5 193.5
Reboiler duty 79.1 79.1
Tray loadings
Flooding factor (%)
Downcomer backup (%)
Calc pressure drop (psia)
Tray 2 FF/DB/PD 73.6/36.3/0.082 64.0/32.6/0.065
Tray 97 4.0/36.5/ 0.082 72.9/37.2/0.075

Tray 367 5.8/39.0/0.085 76.0/39.9/0.079
Tray 657 4.8/38.4/0.083 75.2/39.4/0.078
Stream flows, lb-moles/hr

PROPANE -- 28.5
IBUTANE 729.77 737.5
NBUTANE 1467.64 1431.4
Component flows IBUTANE
stream, lb-moles/hr
Propane 35.5 9.8
Isobutane 687.8 687.8
Normal butane 6.49 39.9
Normal pentane 0.00 0.00
TVP, IBUTANE stream, psia 75.0 70.4
Conclusions
The following observations can be made comparing the adjusted
revamped case with the base case
l The tray loadings in the revamped case are essentially at or
below the tray loadings for the base case.
l The volatility of the IBUTANE stream is decreased.
l Around 28.5 moles of marketable LPG product is
produced.
l The reboiler duty and total condenser duties are at or below
the base case.
l A small condenser must be located and installed to handle
the propane product.
l Both the condenser and reboiler will have higher required
UAs to accommodate the smaller temperature differential.
A higher quality steam might be required to drive the
reboiler.
l The column must be rated to operate at the higher pressure.
l The column must be reconfigured to include a side draw.
l The feed pump must be rated to operate at the higher pres-
sure.
l There will be less normal butane as product. More normal
butane will go with the isobutane stream which may
impact downstream processing.


R3S - Shortcut Crude Oil Distillation

The feed to a refinery often changes every few days. An existing
refinery has received an Indonesian crude oil and you must simulate
the atmospheric distillation column to establish the correct
operating conditions for a throughput of 120,000 barrels/day.
Process Data
The crude unit configuration and typical operating data are shown
in Figure R3-1. This simulation uses the stripping stream and
pumparound cooling shown in Figure R3-1.
Figure R3-1: Crude Oil Distillation
R3S - Shortcut Crude Oil Distillation Refining 2-1

The products must meet the specified D86 and TBP points in Table
R3-1, and the yields are to be calculated.
Table R3-1: ASTM D86 (F)
LV% Naptha Kerosene Diesel Gas Oil Topped Crude

0 - 301 446 490 652
5 79 379 516 625 738
95 340 520 665 843 1438
100 376 565 669 889 1464
The crude oil has been analysed as an atmospheric TBP curve and
defined lightend components as shown in Table R3-2.
Table R3-2: Crude Oil Data
TBP at 7600 mmHg Lightends

LV% Temp (F) LV% Temp (F) Components LV%
3 98 50 690 Ethane 0.1
5 149 60 770 Propane 0.2
10 208 70 865 i-Butane 0.3
20 330 80 980 n-Butane 0.7
30 459 100 1600 i-Pentane 0.5
40 590 n-Pentane 1.2
Average API 29.2 Total 3.0
Gravity
The laboratory data for the TBP curve are supplied only up to the
80% point. A typical value is assumed for the 100% point to assist
the extrapolation of the curve.
Methods and Data

The GS thermodynamic system is recommended for calculating
K-values and enthalpies in crude and vacuum systems. The BK10
system may also be used, but it tends to predict slightly less
vaporization. Column temperatures can generally be matched with
either system.
Accurate characterization of the crude oil is vital for good
simulation results. The greatest errors often appear in the residue
stream and can lead to poor results when simulating the
2-2 Refining R3S - Shortcut Crude Oil Distillation

downstream vacuum column. The characterization may be
improved by supplying gravity and molecular weight curves if they
are available.
The program automatically generates a number of petroleum
fractions and calculates the molecular weight, gravity, and boiling
point for each. These are then used in standard petroleum
correlations to generate all the other required properties.
The TBP curve must be matched to the lightends data to produce a
smooth curve. To assist this, the boiling point (97 F) of the
n-pentane is input as an additional 3.0% point at the front of the
curve.
Viscosity and thermal conductivity data are generated for the
streams for use in other calculations. The API Data Book method is
selected for the liquid viscosities. For crude oil streams, these data
are more accurate than the PETRO option used for the other
transport properties.
Simulation Model
The first step in the simulation is to ensure that it is possible to
produce the specified products from the crude oil feed and establish
the material balance. The multidraw shortcut distillation model
(MODEL = REFINE) is a quick and easy tool for these
calculations. This model uses the Fenske calculation method and
considers the column to be a series of two-product columns as
shown in Figure R3-2. The condenser is simulated with an external
flash drum.
The specifications chosen for the shortcut model define the
separation in each section. For this simulation, the 95% distillation
points and 5-95% gaps are used. The data are taken from Table R3-
1.
Five percent and 95% points should always be used instead of
initial and end points, as they are generally more accurate. The
simulated end points are affected by the number of petroleum cuts,
the parameter TBPEP (on the ASSAY statement in Component
Data) which defaults to 98%, and the Fenske model itself, which
tends to overfractionate on the product tails. In addition, the
shortcut simulation ignores the sidestrippers, which also affect the
ends of the curves.

As crude oil has no defined components, the component flowrate
output is suppressed, and only the stream summary is printed. The
PRINT TBP option gives the TBP and ASTM curves for all
hydrocarbon streams.
It is not known whether or not there will be any vapor product from
the column. As there may be vapor, the condenser is defined as
mixed phase at the defined temperature.
The MODEL=REFINE option specifies no reflux between sections in
the column. The default would assume total reflux between the
sections. The product rate estimates are supplied as volume percent
cutpoints on the crude oil feed.
Figure R3-2: Shortcut Crude Unit Model

In the shortcut model, the stripping steam is added with the feed.
The main effect of this on the simulation results is that the influence
of the steam on the product temperatures is not modeled, and the
calculated temperatures will be high.
Input Data
The shortcut crude unit model uses default English units of
measure, except for liquid volume where API barrels is specified
instead of cubic feet. Click on the UOM button to make this
change.
Click on the Component to enter the component slate. Note
the pseudocomponents shown in Figure R3-3 initially are not
present. They will be generated after the stream assay data are
supplied.
Figure R3-3: Component Selection After Pseudocomponent Generation
Click the Thermodynamics button to select the Grayson-

Streed thermodynamic system of method. Proceed to the Modify
Data button to cross check the default settings of K-values and
enthalpy methods shown in Figure R3-4.

Figure R3-4: Thermodynamic Methods
Lay down a shortcut column onto the PFD. A dialog pops up

requesting whether you want a condenser (yes) or reboiler (yes).
Connect the column to a feed stream.
To enter the stream data (crude oil), lay down a stream on the PFD
and connect it to the column. Double-click on the stream, select
Petroleum Assay from the list box and click on the Flowrate and
Assay button.
Enter the flowrate of 5,000 bbl/day. Then click on Define/Edit
Assay to enter the assay data. TBP distillation data, API gravity
data and lightends data from Table R3-2 are entered as illustrated in
Figure R3-5.

Figure R3-5: Assay Definition
Click the Lightends button to enter the assay lightends data.

After completing that dialog box, click OK to return to the PFD. A
dialog box pops up to inform you that the assay components have
been generated.
Figure R3-6: Message After Generating Pseudocomponents
By returning to the Components Selection dialog, it is possible to

verify the component slate now includes the pseudo-components,
as shown in Table R3-3. The component slate now is complete.

Double-click the shortcut column icon to open the main Data Entry
Window for the shortcut column shown in Figure R3-7
Figure R3-7: Shortcut Column Main
Click the Condenser/Reboiler button to enter data for the

condenser. Because vapor may be present in the product, select
Mixed as the condenser type. As shown in Figure R3-8, set the
operating temperature at 110 F. Click OK to return to the main
shortcut DEW.
Figure R3-8: Shortcut Column Condenser/Reboiler
Click the Specifications button on the shortcut icon to enter the

product specifications that define the separation in each
section. In this example, 95% distillation points and 5%-95%
gaps are used. Figure R3-9 illustrates one of the data entry
windows for specification number 2.
Figure R3-9: Shortcut Column Performance Specifications
Click the Fenske Estimates button and enter the estimated

Fenske Index for each product section. Table R3-3 lists the
estimates used in this example.
Table R3-3: Fenske Index Estimates
Section Index Estimate
1 2.00
2 3.00
3 2.00
4 2.00
Click the Products button and enter the product rate estimates
and set the phases and pressure of the product streams.
The keyword input listing that follows contains all the data used in
this example.

Keyword Input File

TITLE PROJECT=APPBRIEF, PROBLEM=R3S
PRINT INPUT=ALL, STREAM=SUMMARY, TBP
DIMENSION ENGLISH, PRES=PSIG, LIQVOL=BBL
COMPONENT DATA
LIBID 1,H2O/ 2,C2/ 3,C3/ 4,IC4/ 5,NC4/ 6,IC5/ 7,NC5 &
BANK = SIMSCI, PROCESS
ASSAY CURVEFIT = IMPR, CONVERSION = API94
CUTPOINTS TBPCUTS=100,800.001,70/1200,20/1600,8,DEFAULT
THERMODYNAMIC DATA
METHOD SYSTEM=GS, VISCOSITY(L)=API, VISCOSITY(V)=PETR, &
CONDUCTIVITY(L)=PETR, CONDUCTIVITY(V)=PETR, SET=GS01
STREAM DATA
PROPERTY STREAM=CRUDE, TEMPERATURE=450, PRESSURE=14, &
PHASE=M, RATE(LV)=4999.99, ASSAY=LV
TBP STREAM=CRUDE, TEMPERATURE=F, PRESSURE(MMHG)=760 &
DATA= 3,97 / 5,149/ 10,208/ 20,330/ 30,459/ &
40,590/ 50,690/ 60,770/ 70,865/ 80,980/ &
100,1600
API STREAM=CRUDE, AVERAGE=29.2
LIGHTEND STREAM=CRUDE, PERCENT(LV)=3, NORMALIZE, &
COMP(LV)=2,0.1/3,0.2/4,0.3/ 5,0.7/ 6,0.5/7,1.2
PROPERTY STREAM=STEAM, TEMPERATURE=600, PRESSURE=60, &
PHASE=M, COMPOSITION(WT,LB/H)=1,20000
NAME CRUDE,CRUDE FEED/ NAPH,NAPHTHA/ KERO,KEROSENE/ &
DIES,DIESEL/ GASOIL,GAS OIL/ TOPPED,TOPPED CRUDE
UNIT OPERATIONS
SHORTCUT UID=SC01, NAME=CRUDE TOWER
FEED CRUDE,STEAM
PROD STREAM=OVER, CUTPOINT(LV)=25, PHASE=M, PRESS=8.4999
PROD STREAM=KERO, CUTPOINT(LV)=40, PHASE=L, PRESS=11.8
PROD STREAM=DIES, CUTPOINT(LV)=55, PHASE=L, PRESS=12.5
PROD STREAM=GASOIL, CUTPOINT(LV)=75, PHASE=L, PRESS=13.3
PROD STREAM=TOPPED, PHASE=L, PRESSURE=14.4
CONDENSER TYPE=MIX, TEMPERATURE=110
EVALUATE MODEL=REFINE, TRIAL=50
FINDEX 2,3,2,2
SPEC STREAM=OVER, D86(95,F), VALUE=340
SPEC STREAM=KERO, D86(5,F), MINUS, STREAM=OVER, &
D86(95,F), VALUE=40
SPEC STREAM=KERO, D86(95,F), VALUE=520
SPEC STREAM=DIES, D86(5,F), MINUS, STREAM=KERO, &
D86(95,F), VALUE=10
SPEC STREAM=DIES, D86(95,F), VALUE=665

SPEC STREAM=GASOIL, D86(5,F), MINUS, STREAM=DIES, &
D86(95,F), VALUE=-30
SPEC STREAM=GASOIL, TBP(95,F,VOL), VALUE=885
SPEC STREAM=TOPPED, TBP(5,F,VOL), VALUE=695
FLASH UID=FL01, NAME=CONDENSER
FEED OVER
PRODUCT V=OFF_GAS, L=NAPH, W=DECANT
ISO TEMPERATURE=110, PRESSURE=5.3
END
Output
The shortcut column results are shown on the next page. The
shortcut model predicts the minimum number of trays, calculated at
total reflux, needed to meet the specified separations. Typical
values for crude oil separations for each column section are shown
in Table R3-4.
Table R3-4: Typical Shortcut Trays
Column Section Index Estimate
Naphtha - Kerosene 3.5 - 5.0
Kerosene - Diesel 2.5 - 3.5
Diesel - Gas Oil 2.0 - 3.0
Gas Oil - Topped Crude 1.3 - 1.8
As long as the shortcut model reports figures within these ranges,

the separations will be feasible. Significant departures from these
values mean a difficult, if not impossible, separation.
The simulation predicted no overhead vapor at the desired
condenser conditions. This is not unusual for crude unit simulations
because some lightends may have been lost in sampling the crude
oil, or because lightends produced by cracking in the furnace are
not included in the simulation model.
Once the shortcut model is solved, the material balance is defined.
If difficulties occur solving the rigorous model, then the heat
balance is likely to be at fault.
The shortcut column profiles can be obtained by clicking on the
Generate Report button, which generates the entire flowsheet
report, or by selecting the column and clicking View Results, which
will generate a table of results for just the column.

Shortcut Column Output

UNIT 1, 'SC01', 'CRUDE TOWER'
FEEDS
STREAM PHASE
------------ ------
CRUDE MIXED
STEAM VAPOR
PRODUCTS
------------- TOTAL STREAM RATES -------------
MOLES WEIGHT LIQUID VOL NORM VAPOR(1) NUM
STREAM + PHASE LB-MOL/HR LB/HR BBL/HR FT3/HR SECTION TRAYS
------------ - ---------- ---------- ---------- ---------- ------- -----
OVER M 2950.52 291750.51 1131.76 1119672.59 1 3.25
(FREE WATER) W 1106.44 19932.76 56.92 419874.17
KERO L 1006.35 181138.51 627.01 381894.69 2 3.10
DIES L 591.52 152295.47 499.80 224472.19 3 2.37
GASOIL L 687.83 230044.41 725.82 261019.00 4 1.33
TOPPED L 1317.16 686460.01 2015.80 499840.66
TOTALS 7659.82 1561621.67 5057.11 2906773.30 10.05
SPECIFICATIONS
PARAMETER COMP. SPECIFICATION SPECIFIED CALCULATED

TYPE NUM TYPE VALUE VALUE
----------------- ------- ------------- ---------- ----------
STRM OVER D86 95 PCT 3.400E+02 3.400E+02
STRM KERO D86 5 PCT 4.000E+01 4.000E+01
STRM KERO D86 95 PCT 5.200E+02 5.200E+02
STRM DIES D86 5 PCT 1.000E+01 9.997E+00
STRM DIES D86 95 PCT 6.650E+02 6.650E+02
STRM GASOIL D86 5 PCT -3.000E+01 -3.001E+01
STRM GASOIL TBP 95 PCT 8.850E+02 8.850E+02
STRM TOPPED TBP 5 PCT 6.950E+02 6.950E+02

R3R - Rigorous Crude Oil Distillation Revamp

Simulation Model (Rigorous)
The number of theoretical trays must be established for the rigorous
distillation. This may be obtained by:
applying typical overall tray efficiencies to the number of
actual trays
using values from previous simulations of the column
assuming that the number of theoretical trays is about twice the
minimum number.
In this example, typical efficiencies are used to configure the model
Figure R3-10: Rigorous Crude Unit Model
R3R - Rigorous Crude Oil Distillation Revamp Refining 2-13

Virtually all the heat in the distillation enters with the crude oil feed,
and so it is vital that the feed temperature is correct. For this reason,
the furnace and flash zone are included in the simulation as a heat
source on the feed tray. The feed is specified as liquid at the flash
zone pressure to ensure that no flash is performed and all the feed is
placed on this tray. The furnace duty is then calculated to match the
specified liquid runback into the flash zone.
Only one other specification can be made on the main column,
together with one on each sidestripper, and so not all the distillation
specifications on the shortcut can be used. The best strategy is to
specify one distillation point or gap for each product, except for the
topped crude. The topped crude is not usually specified since this
has the greatest uncertainty. Specifying the 95% points generally
gives good results. If large differences appear at the top of the
curves, then the simulation may be improved by specifying some
5% points. The specification variables are the condenser duty and
the side product draw rates.
As for the shortcut simulation, 5% and 95% points are used in
preference to initial and end points.
The circulation rates for the pumparound cooler circuits are
calculated to meet the desired cooling duties and return
temperatures. When specifying sidecooler duties, be wary of duties
that are based on measured pumparound rates. These are
notoriously inaccurate, and too much cooling will dry up the liquid
leaving the tray above the cooler. The subsequent calculation failure
reflects the operational failure of the actual column when drying up
occurs. If pumparound duties are uncertain, they may be calculated
to meet specified liquid runbacks.
The shortcut model showed that there is no overhead vapor.
Therefore, the condenser is defined as type subcooled, fixed
temperature.
Solution of the main column is enhanced by using the molal product
flows determined in the shortcut simulation as initial estimates. The
REFINERY model is used to generate the initial solution profiles.
The temperature of the oil leaving the furnace is not the same as the
flash zone temperature. In order to calculate the furnace
temperature, a flash is used to add the calculated furnace duty to the
feed stream.
2-14 Refining R3R - Rigorous Crude Oil Distillation Revamp

Input Data Rigorous

The dimensional units and printout options for the rigorous
simulation are the same as were used in the shortcut model. The
steam feeds are now fed to the bottom of the main column and to
the sidestrippers.
The column is defined as a refinery unit, and a damping factor of
0.7 is applied to the IO solution method. This damping assists in the
convergence of this type of column.
The steps to define your components, thermodynamic methods, and
assay streams are the same as followed for the shortcut column.
For a rigorous model, the number of TBP Cuts has been increased
from 40 (default) to 98 to improve accuracy and better fractionation
results.
To modify the default TBP cut points, click the Assay Cutpoints
button and Modify Primary Set to enter the cut points as
Figure R3-11: TBP Cutpoints
Lay down the main column and feed streams; then complete the
PFD as previously shown in Figure R3-10.

The sidestrippers are entered as separate units, but PRO/II solves
them simultaneously with the main column. The column feed
temperature is not calculated until after the column has been
converged.
Double-click the column to display the main column dialog.
Figure R3-12: Column Main Data Entry Window
Click the Pressure Profile button and enter the pressure

profile shown in Figure R3-13.
Figure R3-13: Column Pressure Profile Dialog box

Click Feeds and Products and enter the data for feeds and
products as shown in Figure R3-14. The crude feed is located
on tray 18. The return stream from the sidestrippers can be
specified in this dialog box. The products and their types,
product phases, tray number from which the products are
drawn and the product rate can be specified in this dialog box.
Figure R3-14: Column Feeds and Products
Click the Convergence Data button and enter the damping

factor (a value of 0.70 is used in this example).
Click the Condenser button and specify a subcooled condenser
operating at a fixed temperature of 110 F.

Click the Pumparounds icon and specify the pumparound
specifications. A representative screen shot is shown in Figure
R3-15.
Figure R3-15: Column Pumparounds
Click the Performance Specifications button and specify the

separation of the required product stream as 95% ASTM D86
distillation points as shown in Figure R3-16. The variables are
the condenser duties and the side product draw rates.

Figure R3-16: Column Performance Specifications
This completes the essential data for the column.

Next, lay down the sidestrippers (side columns) on the flowsheet.
Double-click each side-stripper icon on the PFD and enter data
for:
a) Performance Specifications (the same as for the main col-
umn, see Figure R3-16 above).
b) Pressure Profile
c) Feeds and Products (see Figure R3-17)
Figure R3-17: Side Column Feeds and Products
Keyword Input File

TITLE PROJECT=R3R, USER=SIMSCI
DESC Rigorous crude distillation
PRINT STREAM=SUMMARY, TBP
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5 &
BANK=SIMSCI, PROCESS
ASSAY CURVEFIT=IMPROVED, CONVERSION=API94
CUTPOINTS TBPCUTS=100,800.001,70/1200,20/1600,8,DEFAULT
THERMODYNAMIC DATA
METHOD SYSTEM=GS, VISCOSITY(L)=API, VISCOSITY(V)=PETR, &
CONDUCTIVITY(L)=PETR, CONDUCTIVITY(V)=PETR, SET=GS01
STREAM DATA

PROPERTY STREAM=CRUDE, TEMPERATURE=450, PRESSURE=14, PHASE=M, &
RATE(LV)=4999.99, ASSAY=LV
TBP STREAM=CRUDE, DATA=3,97/5,149/10,208/20,330/30,459/40,590/ &
50,690/60,770/70,865/80,980/100,1600, TEMP=F, PRES(MMHG)=760
API STREAM=CRUDE, AVERAGE=29.2
LIGHTEND STREAM=CRUDE, COMPOSITION(LV)=2,0.1/3,0.2/4,0.3/ &
5,0.7/ 6,0.5/7,1.2, PERCENT(LV)=3, NORMALIZE
PROPERTY STREAM=STM_COL, TEMPERATURE=600, PRESSURE=60, PHASE=M, &
RATE(WT)=10000, COMPOSITION(M)=1,100
PROPERTY STREAM=3, TEMPERATURE=600, PRESSURE=60, PHASE=V, &
PROPERTY STREAM=1REF, REFSTREAM=CRUDE
NAME CRUDE,CRUDE FEED/NAPH,NAPHTHA/KERO,KEROSENE/DIES,DIESEL/ &
GASOIL,GAS OIL/TOPPED,TOPPED CRUDE
UNIT OPERATIONS
COLUMN UID=COL1, NAME=CRUDE TOWER
PARAMETER TRAY=20,IO=15 DAMPING=0.7
FEED CRUDE,18/STM_COL,20/18,15/16,11/14,7
PRODUCT OVHD(M)=NAPH,2879, LDRAW(M)=15,8,1047, LDRAW(M)=17,12,&
575, LDRAW(M)=19,16,715, WATER(M)=DECANT,1,1105, &
BTMS(M)=TOPPED, SUPERSEDE=ON
CONDENSER TYPE=TFIX, TEMPERATURE=110
DUTY 1,1,,CONDENSER
DUTY 2,18,,SIDEHC2
DUTY 3,13,-39.9997,PAROHC1
DUTY 4,9,-50,PAROHC2
DUTY 5,2,-50,PAROHC3
PA NAME=1, FROM=14, TO=13, PHASE=L, DNAME=PAROHC1, TEMP=450
PA NAME=2, FROM=10, TO=9, PHASE=L, DNAME=PAROHC2, &
TEMP=309.999
PA NAME=3, FROM=3, TO=2, PHASE=L, DNAME=PAROHC3, TEMP=174.999
ESTIMATE MODEL=REFINING, RRATIO=3
PRESSURE 1,5.29997/2,8.49993/18,12.4999/20,13
SPEC ID=COL1SPEC1, TRAY=17, RATE(LV,BBL/H), PHASE=L,WET, &
DIVIDE, STREAM=CRUDE, RATE(LV,BBL/H),TOTAL,WET, &
VALUE=0.03
SPEC ID=COL1SPEC2, STREAM=NAPH, D86(95,F), VALUE=340
VARY DNAME=CONDENSER,SIDEHC2
SIDESTRIPPER UID=SS01, NAME=KERO STRIP

FEED 15,1/5,2
PRODUCT OVHD(M)=14, BTMS(M)=KERO,1047, SUPERSEDE=ON
PSPEC PTOP=11.8
ESTIMATE MODEL=SIMPLE
SPEC ID=SCOL1SPEC1, STREAM=KERO, D86(95,F), VALUE=520
VARY FEED=15
SIDESTRIPPER UID=SS02, NAME=DIESEL STRIP
FEED 17,1/4,2
PRODUCT OVHD(M)=16, BTMS(M)=DIES,575, SUPERSEDE=ON
PSPEC PTOP=12.5
SPEC ID=SCOL2SPEC1, STREAM=DIES, D86(95,F), VALUE=665
VARY FEED=17
SIDESTRIPPER UID=SS03, NAME=AGO STRIP
FEED 19,1/3,2
PRODUCT OVHD(M)=18, BTMS(M)=GASOIL,715, SUPERSEDE=ON
PSPEC PTOP=13.3
SPEC ID=SCOL3SPEC1, STREAM=GASOIL, TBP(95,F,VOL), VALUE=885
VARY FEED=19
FLASH UID=FL1, NAME=FEED TEMP
FEED 1REF
PRODUCT M=1A
ADIABATIC
DEFINE PRES(PSIG) AS COLUMN=COL1, TRAY=18, PRESSURE(PSIG), &
PHASE=L
DEFINE DUTY(BTU/HR) AS COLUMN=COL1, DNAME(BTU/HR)=SIDEHC2
END
Results
The simulation shows that the column can be operated to produce
the required products. The yield of each product is shown in the
Table R3-5 and Table R3-6.
The pumparound rates, furnace and condenser duties have also been
calculated along with the actual temperature of the oil leaving the
furnace.
The flash output below shows that the furnace outlet temperature is
721.7 F, while the column output shows that the flash zone is at
719.9 F.

The column summary can be obtained by clicking on the Generate
Report button, which generates the entire flowsheet report, or by
selecting the column and clicking View Results, which will
generate a table of results for just the column.
To view the Product Stream Summary, a report (Excel worksheet)
can be generated for the properties of all the streams by clicking
Tools /Spreadsheet / Stream Properties from the menu bar.
To generate plots for the Product Distillation Curves of your choice,
click Tools/Distillation Curve from the menu bar. Refer to the
Product Distillation Curves in the Output (Rigorous) section.
Output (Rigorous)
The column summaries show the output for the main column and
the sidestrippers. Tables may also be produced with vapor and
liquid rates, densities and transport properties, as explained in the
Results section.
The stream component output was suppressed and only the stream
summaries are printed. A sample of the stream summary is show for
both wet and dry basis properties. Part of the distillation curve
output is shown for the feed and some product streams. All pure
water streams are omitted from this output.
Finally, a comparison is presented of the analyses of the shortcut
and rigorous products.
FEED TEMPERATURE FLASH

FLASH ID FL1
NAME FEED TEMP
FEEDS 1REF
PRODUCTS MIXED 1A
TEMPERATURE, F 721.719
PRESSURE, PSIG 12.500
PRESSURE DROP, PSI 1.500
MOLE FRAC VAPOR 0.79123
MOLE FRAC TOTAL LIQUID 0.20877
MOLE FRAC H/C LIQUID 0.20877
MOLE FRAC FREE WATER 0.00000
FLASH TYPE ADIABATIC-P

Crude Column Summary

'COL1', 'CRUDE TOWER'
TOTAL ALL TRIALS 7
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 110.0 5.30 3124.3 2898.5L -148.1739
1076.5W
2 276.1 8.50 10572.4 7099.4 4978.1P -50.0000
3 316.1 8.75 5979.2 9569.3 4978.1P
4 345.0 9.00 5908.0 9954.3
5 362.1 9.25 5718.2 9883.0
6 376.2 9.50 5398.2 9693.2
7 392.1 9.75 4875.2 9373.2 470.8V
8 415.3 10.00 2939.0 8379.5 1255.5L
9 448.7 10.25 6590.2 7698.8 2392.9P -50.0000
10 481.9 10.50 3924.1 8957.1 2392.9P
11 515.7 10.75 3412.7 8683.9 449.5V
12 546.9 11.00 2002.1 7723.0 879.2L
13 579.2 11.25 4011.4 7191.5 1381.2P -39.9997
14 610.2 11.50 2434.7 7819.7 1381.2P
15 637.4 11.75 2012.9 7624.2 169.5V
16 662.5 12.00 510.0 7032.8 852.5L
17 697.6 12.25 129.6 6382.4
18 719.9 12.50 1458.9 6002.0 6549.4M 318.0626
19 716.5 12.75 1340.3 781.9
20 710.2 13.00 663.4 555.1V 1232.1L
SIDESTRIPPER SS01
1/ 21 400.4 11.80 1140.8 1255.5L 470.8V
2/ 22 384.4 11.80 356.1 222.0V 1006.8L
SIDESTRIPPER SS02
1/ 23 533.3 12.50 785.2 879.2L 449.5V
2/ 24 517.2 12.50 355.5 249.8V 679.5L
SIDESTRIPPER SS03
1/ 25 659.4 13.30 816.5 852.5L 169.5V
2/ 26 653.4 13.30 133.5 83.3V 766.2L

TYPE STREAM PHASEFROM TO LIQUID FLOW RATES HEAT RATES

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 14 VAPOR 7 0.0000 470.78 16.2356
FEED 16 VAPOR 11 0.0000 449.46 20.8956
FEED 18 VAPOR 15 0.0000 169.51 11.1690
FEED CRUDE MIXED 18 0.5865 6549.38 360.5470
FEED STM_COL VAPOR 20 0.0000 555.09 13.3041
PROD NAPH LIQUID 1 2898.49 10.8555
PROD DECANT WATER 1 1076.54 1.5117
PROD 15 LIQUID 8 1255.50 42.4484
PROD 17 LIQUID 12 879.17 58.0059
PROD 19 LIQUID 16 852.47 95.2713
PROD TOPPED LIQUID 20 1232.06 243.9409
SIDESTRIPPER SS01
FEED 15 LIQUID 21 1.0000 1255.50 42.4484
FEED 5 VAPOR 22 0.0000 222.04 5.3216
PROD 14 VAPOR 21 470.78 16.2356
PROD KERO LIQUID 22 1006.76 31.5354
SIDESTRIPPER SS02
FEED 17 LIQUID 23 1.0000 879.17 58.0059
FEED 4 VAPOR 24 0.0000 249.79 5.9868
PROD 16 VAPOR 23 449.46 20.8956
PROD DIES LIQUID 24 679.50 43.0980
SIDESTRIPPER SS03
FEED 19 LIQUID 25 1.0000 852.47 95.2713
FEED 3 VAPOR 26 0.0000 83.26 1.9956
PROD 18 VAPOR 25 169.51 11.1690
PROD GASOIL LIQUID 26 766.22 86.1003

OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) 2.3742E-03
PUMPAROUNDS

FROM TO FROM TO FROM TO LB-MOL/HR M LB/HR STD BBL/HR
---- ---- ------- ------- ------- ------- ---------- ---------- ----------
14 13 610.2 450.0 1.0000 1.0000 1381.22 382.284 1239.56
10 9 481.9 310.0 1.0000 1.0000 2392.87 483.761 1644.22
3 2 316.1 175.0 1.0000 1.0000 4978.13 653.666 2380.72

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) TRAY LIQ 17 LV RATIO 3.000E-02 2.999E-02
2 (ACTIVE) STRM NAPH 1 D86 95 PCT 3.400E+02 3.400E+02
3 (ACTIVE) STRM KERO 22 D86 95 PCT 5.200E+02 5.200E+02
4 (ACTIVE) STRM DIES 24 D86 95 PCT 6.650E+02 6.650E+02
5 (ACTIVE) STRM GASO 26 TBP 95 PCT 8.850E+02 8.850E+02
Product stream Summary

STREAM ID CRUDE DECANT DIES GASOIL
NAME CRUDE FEED DIESEL GAS OIL
PHASE MIXED WATER WET LIQUID WET LIQUID
RATE, LB-MOL/HR 6549.378 1076.537 679.503 766.220
M LB/HR 1541.621 19.394 169.474 253.406
TEMPERATURE, F 450.000 110.000 517.193 653.354
PRESSURE, PSIG 14.000 5.300 12.500 13.300
BTU/LB 233.875 77.949 254.304 339.773

RATE, LB-MOL/HR 2654.579 N/A N/A N/A
M LB/HR 280.096 N/A N/A N/A
M FT3/HR 872.218 N/A N/A N/A
STD VAP RATE(1), M FT3/HR 1007.369 N/A N/A N/A
MOLECULAR WEIGHT 105.514 N/A N/A N/A
ENTHALPY, BTU/LB 339.865 N/A N/A N/A
CP, BTU/LB-F 0.558 N/A N/A N/A
DENSITY, LB/M FT3 321.129 N/A N/A N/A
Z (FROM DENSITY) 0.9658 N/A N/A N/A
THERMAL COND, BTU/HR-FT-F 0.02019 N/A N/A N/A
VISCOSITY, CP 0.01068 N/A N/A N/A

RATE, LB-MOL/HR 3894.799 1076.537 679.503 766.220
M LB/HR 1261.525 19.394 169.474 253.406
BBL/HR 4621.459 55.843 692.329 1040.250
GAL/MIN 3235.011 39.090 484.629 728.173
ENTHALPY, BTU/LB 210.343 77.949 254.304 339.773

CP, BTU/LB-F 0.610 0.998 0.653 0.702
DENSITY, LB/BBL 272.971 347.290 244.789 243.601
Z (FROM DENSITY) 0.0196 9.5261E-04 0.0148 0.0179
SURFACE TENSION, DYNE/CM 16.2948 69.0983 13.2053 11.4292
TH COND, BTU/HR-FT-F 0.04306 0.36596 0.04287 0.03743
VISCOSITY, CP 0.44189 0.61202 0.26645 0.26360
------ DRY STREAM ------

RATE, LB-MOL/HR 6549.378 N/A 672.695 760.403
M LB/HR 1541.621 N/A 169.352 253.301
STD LIQ RATE, BBL/HR 4999.990 N/A 557.548 799.411
MOLECULAR WEIGHT 235.384 N/A 251.751 333.114
MOLE FRACTION LIQUID 0.5947 N/A 1.0000 1.0000
REDUCED TEMP (KAYS RULE) 0.7195 N/A 0.7049 0.7355
PRES (KAYS RULE) 0.0870 N/A 0.1092 0.1346
ACENTRIC FACTOR 0.5777 N/A 0.6483 0.8208
WATSON K (UOPK) 11.767 N/A 11.732 11.732
STD LIQ DENSITY, LB/BBL 308.325 N/A 303.744 316.860
SPECIFIC GRAVITY 0.8805 N/A 0.8674 0.9049
API GRAVITY 29.200 N/A 31.624 24.872
------ DRY VAPOR -------
M FT3/HR 872.218 N/A N/A N/A
SPECIFIC GRAVITY (AIR=1.0) 3.643 N/A N/A N/A
------ DRY LIQUID ------
RATE, LB-MOL/HR 3894.799 N/A 672.695 760.403
M LB/HR 1261.525 N/A 169.352 253.301
BBL/HR 4621.459 N/A 691.874 1039.744
GAL/MIN 3235.011 N/A 484.310 727.819
SPECIFIC GRAVITY (H2O=1.0) 0.9171 N/A 0.8674 0.9049
CP, BTU/LB-F 0.610 N/A 0.653 0.701
DENSITY, LB/BBL 272.971 N/A 244.773 243.619
SURFACE TENSION, DYNE/CM 16.2948 N/A 13.1229 11.4806
THERMAL COND, BTU/HR-FT-F 0.04306 N/A 0.04285 0.03743
VISCOSITY, CP 0.44189 N/A 0.26872 0.26560

Product stream Summary (Continued)

NAME CRUDE FEED DIESEL GAS OIL
PHASE MIXED WATER WET LIQUID WET LIQUID

RATE, LB-MOL/HR 6549.378 1076.537 679.503 766.220
M LB/HR 1541.621 19.394 169.474 253.406
TEMPERATURE, F 450.000 110.000 517.193 653.354
PRESSURE, PSIG 14.000 5.300 12.500 13.300
BTU/LB 233.875 77.949 254.304 339.773

M FT3/HR 872.218 N/A N/A N/A

RATE, LB-MOL/HR 3894.799 1076.537 679.503 766.220
M LB/HR 1261.525 19.394 169.474 253.406
BBL/HR 4621.459 55.843 692.329 1040.250
GAL/MIN 3235.011 39.090 484.629 728.173
ENTHALPY, BTU/LB 210.343 77.949 254.304 339.773
CP, BTU/LB-F 0.610 0.998 0.653 0.702
DENSITY, LB/BBL 272.971 347.290 244.789 243.601
Z (FROM DENSITY) 0.0196 9.5261E-04 0.0148 0.0179
SURFACE TENSION, DYNE/CM 16.2948 69.0983 13.2053 11.4292
TH COND, BTU/HR-FT-F 0.04306 0.36596 0.04287 0.03743
VISCOSITY, CP 0.44189 0.61202 0.26645 0.26360

Product stream Summary (Continued)

------ DRY STREAM ------
RATE, LB-MOL/HR 6549.378 N/A 672.695 760.403
M LB/HR 1541.621 N/A 169.352 253.301
MOLE FRACTION LIQUID 0.5947 N/A 1.0000 1.0000
REDUCED TEMP (KAYS RULE) 0.7195 N/A 0.7049 0.7355
PRES (KAYS RULE) 0.0870 N/A 0.1092 0.1346
ACENTRIC FACTOR 0.5777 N/A 0.6483 0.8208
WATSON K (UOPK) 11.767 N/A 11.732 11.732
STD LIQ DENSITY, LB/BBL 308.325 N/A 303.744 316.860
SPECIFIC GRAVITY 0.8805 N/A 0.8674 0.9049
API GRAVITY 29.200 N/A 31.624 24.872
------ DRY VAPOR -------

M FT3/HR 872.218 N/A N/A N/A
------ DRY LIQUID ------

RATE, LB-MOL/HR 3894.799 N/A 672.695 760.403
M LB/HR 1261.525 N/A 169.352 253.301
BBL/HR 4621.459 N/A 691.874 1039.744
GAL/MIN 3235.011 N/A 484.310 727.819
SPECIFIC GRAVITY (H2O=1.0) 0.9171 N/A 0.8674 0.9049
CP, BTU/LB-F 0.610 N/A 0.653 0.701
DENSITY, LB/BBL 272.971 N/A 244.773 243.619
SURFACE TENSION, DYNE/CM 16.2948 N/A 13.1229 11.4806
THERMAL COND, BTU/HR-FT-F 0.04306 N/A 0.04285 0.03743
VISCOSITY, CP 0.44189 N/A 0.26872 0.26560

The user can generate a new plot to demonstrate crude distillations.
To create a plot, click Tools/Distillation Curve for each of the
product stream and crude (or any other stream of your choice) and
run a TBP curve at 760 mm Hg (for this particular example).
Export the plot of each stream to Excel and then manually add them
together. Generate a plot for these values.
A snapshot of the Crude TBP Plots is shown below.
Figure R3-18: Composite Crude Distillation Curves

Comparison of Shortcut and Rigorous Results

The product qualities are compared below:
Table R3-5: ASTM D86 (F)
LV % Naphtha Kerosene Diesel Oil Gas Oil

SC Rig SC Rig SC Rig SC Rig
1 -52 -52 358 302 508 447 589 490
5 78 79 380 378 530 516 635 624
10 130 131 389 393 538 533 648 650
30 185 188 411 412 566 566 688 695
50 217 218 433 433 587 590 717 724
70 261 264 460 459 607 611 744 752
90 314 317 500 499 647 649 816 819
95 340 340 520 520 665 665 842 842
98 375 375 556 564 699 699 890 888
Bbl/hr 1085 1101 637 611 466 558 806 799
API 61.54 61.31 40.64 40.53 31.72 31.60 25.10 24.86
Table R3-6: TBP at 760 mm Hg
LV % Gas Oil Topped Crude

SC Rig SC Rig
1 514 422 434 573
5 612 605 695 720
10 638 641 749 768
30 691 698 871 885
50 729 735 975 992
70 771 779 1173 1190
90 850 853 1449 1456
95 885 885 1524 1527
98 951 949 1569 1574
Bbl/hr 806 799 2005 1931
API 25.10 24.86 13.94 13.43
There is good agreement between the 5% and 95% points,

especially towards the top of the column. The fractionation on the
product front ends (1-5%) is sharper with the shortcut model, while
the rigorous simulation predicts better fractionation on the tail ends
(95-98%). This is largely due to the simplifying assumptions of the
shortcut model and the presence of the sidestrippers in the rigorous
simulation.
Because of the simplification in the way the steam feeds are
handled in the shortcut model, the product temperatures do not
match. The rigorous values should always be used.

R4 - Vacuum Column
The problem involves preparing a base case simulation model for
an existing vacuum column by matching measured test run data.
This model will then be used for carrying out further studies on the
column performance as part of a revamp exercise.
The flowsheet for the column is illustrated in Figure R4-1.The
column is of two sections, each with a total draw and a pumparound
returning cooled liquid to the top of the section. The slop wax is
part of the heavy gas oil draw that is mixed with the feed before it
enters to the furnace.
Figure R4-1: Vacuum Column Flowsheet
R4 - Vacuum Column Refining 2-33

Process Data
Table R4-1 shows the analysis of the topped crude feed to the unit.
The steam feed is at 330 C and 8000 mm Hg.
Table R4-1: Feed Assay (ASTM D1160 at 2mmHg)
LV% Temp (C) LV% Temp (C)

0 93 40 252
5 145 50 295
10 190 60 326
20 206 70 375
30 236 75 409
Specific gravity = 0.9833
Temperature (C) = 330
Pressure (mmHg) = 8000
The product balance for the test run is shown in Table R4-2.
Table R4-2: Product Balance
Stream m3/hr Kg/hr

Topped Crude (dry) 99.37 97,509
Dissolved water - 318
Bottom Stream - 908
VOVHD - 1246
VLGO 7.10 6430
VHGO 41.34 38997
VResid 50.82 520
Measured temperatures and pressures for the column are listed in

Table R4-3.
Table R4-3: Column Data
Tray Pressure (mmHg) Temperature (C)

Top 74 66
LVGO draw - 136
HVGO draw - 282
Flash Zone 98 371
Bottom 115 366
2-34 Refining R4 - Vacuum Column

Methods and Data

The BK10 thermodynamic system is recommended for K-value,
enthalpy and density calculations for refinery vacuum units. The
PETRO option is selected to calculate thermal conductivity and
liquid viscosity. The API method generally gives the best prediction
of liquid viscosity for heavy hydrocarbon systems.
The ASTM D1160 distillation data at 2 mmHg are used directly by
specifying the measurement pressure on the D1160 statement. The
data are only available up to the 75% point on the curve. Measured
data rarely go beyond this and the program extrapolates to the 100%
point. The extrapolated portion of the curve makes up most of the
bottom product, and any inaccuracies will mainly affect the bottom
temperature.
This example uses the minimum assay data, which are the
distillation curve and average gravity. Results may be improved by
entering gravity and/or molecular weight curves if available.
Simulation Model
The column is modeled as a refinery column with 7 theoretical trays
as shown in Figure R4-1. Each packed section is assumed to be 2
theoretical trays. The number of trays may also be obtained from a
previous shortcut simulation. Tray 6 represents the furnace and
flash zone, where the slop wax and fresh feed are mixed and heated.
The furnace is included in the column model to calculate the duty
and ensure that a heat balance is obtained. The slop wax stream is
the liquid runback from the tray above the flash zone.
The temperature of the feed from the furnace will not be the same as
the flash zone temperature. It is calculated in a separate flash drum
by adding the furnace duty to the feed and the slop wax streams.
Thermal cracking usually occurs in the furnace, producing some
light gases. The only effect of these is on the temperature at the top
of the column, and it can be ignored unless this temperature is
important. For this simulation, we will match the top temperature
by adding a small quantity of ethane and propane to the feed to
represent the cracked gases (stream CRACK_GASES). For
subsequent simulations we may wish to adjust the cracked gases
stream to reflect the actual yield of vacuum overhead. To keep the
overall weight of feed constant, we can subtract the weight of
cracked gas from the topped crude, which is done automatically

using Calculator CA1. The reduced rate is then inserted into stream
"ADJD_TOP" which becomes the feed that is used in the column
simulation.
Trays 2 and 5 are total draws with all the liquid (except for the slop
wax from tray 5) going to the pumparounds and products. These are
modeled by specifying the liquid from tray 2 at a very small value
and that from tray 5 as the actual slop wax rate into the flash zone.
Note: When modeling an existing column, the most reliable
measured data should be used for the specifications. Less reliable
data can be compared with the calculated results.
The reliability of the measured pumparound rates is suspect, but the
return temperatures are assumed to be reasonably accurate.
Therefore, the pumparound return temperatures are entered and the
corresponding rates calculated.
The other specifications in this simulation are the volumetric rates
of the VHGO and VRESID and the top tray temperature. The
variables are the three duties and the side draw molar rates.
Input Data
Click Input/Unit of Measure.. or Click to view the Unit of
Measure (UOM) specified for this problem.
Figure R4-2: UOM Selection

Click Input/Component Selection or to enter the
component slate data.
The TBP option is used to request printout of the distillation curves

for all the streams.

Click Input/Thermodynamic Data.. or click to view the
Thermodynamic Data - Modification dialog box. Select BK10 as
indicated in Figure R4-4 below. Use the Modify Data button to
open the Modification DEW and override the enthalpy methods.
Figure R4-4: Thermodynamic Data - Modification

The default component flowrate output is suppressed, as the oil
does not have defined components. Laboratory assay curves are
used to represent the streams with pseudocomponents (boiling point
cuts) for which the necessary thermophysical properties can be
estimated.
Figure R4-5: Assay Stream Data
The feed temperature calculation is separate from the column model

and is calculated after the column has converged. In order to feed
the slop wax to the flash calculation, the TFLOW statement is used
to create the stream SLOP, which is identical to the liquid from tray
5. The flash unit simply adds the flash zone duty to the feed and
slop wax streams, and the resultant temperature is the furnace outlet
temperature.

Figure R4-6: Feed & Products
The damping parameter value DAMP=0.9 is recommended for

vacuum columns, as it assists the convergence.

Figure R4-7: Column - Convergence & Specification

The column specifications and variables can be adjusted using the
Column - Specification and Variable dialog box.
Figure R4-8: Column - Specification & Variables
Keyword Input File

TITLE PROJECT=R4R, PROBLEM=APPBRIEFS, USER=SIMSCI, DATE=JUL07
DESC - USES REFERENCE STREAM
DESC - MODIFIED 12/22/94 TO CHANGE DAMPING FACTOR TO .9
PRINT STREAM=SUMMARY, TBP
DIMENSION METRIC, PRES=MMHG
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3, BANK=SIMSCI,PROCESS
ASSAY CONVERSION=API94, CURVEFIT=CURRENT, KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=BK10, VISCOSITY(L)=API, VISCOSITY(V)=PETR, &
CONDUCTIVITY(L)=PETR, CONDUCTIVITY(V)=PETR, SET=BK1001
STREAM DATA
PROPERTY STREAM=R1A, TEMPERATURE=330, PRESSURE=8000, PHASE=M, &
RATE(LV)=99.3701, ASSAY=LV
D1160 STREAM=R1A, DATA=0,93/5,145/10,190/20,206/30,236/40,252/ &
50,295/60,326/70,375/75,409, TEMP=C, PRES(MMHG)=1.99999
SPGR STREAM=R1A, AVERAGE=0.9833
PROPERTY STREAM=R1B, TEMPERATURE=330, PRESSURE=8000, PHASE=M, &
RATE(LV)=3, COMPOSITION(M)=2,75/3,25
PROPERTY STREAM=R1C, TEMPERATURE=330, PRESSURE=8000, PHASE=M, &
PROPERTY STREAM=W1, TEMPERATURE=355, PRESSURE=8500, PHASE=M, &
RATE(WT)=907.999, COMPOSITION(M)=1,100
PROPERTY STREAM=R1REF, REFSTREAM=R1
NAME R1A,TOPPED CRUDE/R1B,LIGHT ENDS/R1C,DIS. STM/R1,VAC FEED/ &
R2,FURNACE PROD/V1,OVERHEAD/V2,LVGO/V3,HVGO/ &
V4,VAC RESI NORMALIZE
UNIT OPERATIONS
MIXER UID=M1, NAME=FEED MIX
FEED R1A,R1B,R1C
PRODUCT M=R1
COLUMN UID=C1, NAME=VAC COLUMN
FEED R1,6/W1,7
PRODUCT OVHD(M)=V1, LDRAW(M)=V2,2,25, LDRAW(M)=V3,4,120, &
WATER=WD_C1,1, BTMS(M)=V4,79.9999, SUPERSEDE=ON
DUTY 1,6,,SIDEHC1
DUTY 2,1,,PAROHC1
DUTY 3,3,,PAROHC2
ESTIMATE MODEL=REFINING, RRATIO=3
PRESSURE 1,73.9998/6,98.0001/7,114.999
SPEC ID=COL1SPEC1, STREAM=V3, RATE(LV,M3/H),TOTAL,DRY, &
VALUE=41.34
SPEC ID=COL1SPEC2, STREAM=V4, RATE(LV,M3/H),TOTAL,DRY, &
VALUE=50.88
SPEC ID=COL1SPEC3, TRAY=5, RATE(LV,M3/H), PHASE=L,WET, &
VALUE=3.5
SPEC ID=COL1SPEC4, TRAY=2, RATE(KGM/H), PHASE=L,WET, VALUE=0.1
SPEC ID=COL1SPEC5, TRAY=1, TEMPERATURE(C), VALUE=67
VARY DNAME=SIDEHC1,PAROHC1,PAROHC2
VARY DRAW=V2,V3
TFLOW NET(L)=SLOP,5
FLASH UID=FL1, NAME=FEED TEMP
FEED R1REF,SLOP
PRODUCT M=R2
ADIABATIC
DEFINE PRES(MMHG) AS COLUMN=C1, TRAY=6, PRESSURE(MMHG), &
PHASE=L
DEFINE DUTY(KC/H) AS COLUMN=C1, DNAME(KC/H)=SIDEHC1
END

Results
The calculated results should be compared with all the available
measured data. If the match is not considered good enough, then it
may be necessary to try different specifications or alter the number
of theoretical trays. Only when the base case is satisfactory should
it be used to investigate changes in the column operation.
In this example, the calculated tray temperatures show good
agreement with the measured values shown in Table R4-3.
Output
The result of the feed temperature calculation is shown on the flash
output in Figure R4-9. The temperature of the feed stream is
370.109 C compared with the flash zone temperature of 368.8 C
shown on the column summary.
Figure R4-9: Flash Data

A number of charts and tables can be obtained in excel spreadsheet
for streams and Equipments used in the PFD by clicking the Tools/
Spreadsheet.
Figure R4-10: Spread Sheet
The extract from the stream summary output shows the properties
for the product streams.
Figure R4-11: Stream Property Details


Column Summary
UNIT 2, 'C1', 'VAC COLUMN'
IN/OUT METHOD 13
COLUMN SUMMARY
DEG C MM HG KG-MOL/HR M*KCAL/HR
------ ------- -------- -------- -------- --------- --------- ------------
1 67.0 74.00 87.2 82.8P 103.2V -0.8991
0.0W
2 134.6 78.80 0.1 107.6 82.8P
25.2L
3 223.2 83.60 305.8 128.5 217.1P -5.2885
4 277.2 88.40 27.5 217.1 217.1P
107.6L
5 345.2 93.20 7.4 263.6
6 368.8 98.00 90.8 243.4 264.7M 4.8314
7 363.1 115.00 62.1 50.4V 79.1L

TRAY TRAY FRAC KG-MOL/HR M*KCAL/HR
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED R1 MIXED 6 0.5642 264.69 17.8119
FEED W1 VAPOR 7 0.0000 50.40 0.6863
PROD V1 VAPOR 1 103.20 0.9096
PROD WD_C1 WATER 1 0.0000
PROD V2 LIQUID 2 25.19 0.4103
PROD V3 LIQUID 4 107.64 5.7035
PROD V4 LIQUID 7 79.06 10.1186
PSEUDO PRODUCT STREAMS

----- ------------ ------ ---- ---- ------ ------------ ------------
NET SLOP LIQUID 5 7.37 0.6446


A range of other tray properties is available. The tray temperature
profile is illustrated below.
Figure R4-12: Temperature Profile
The flowrate details are shown below.
Figure R4-13: Flowrate Profile

The thermal conductivity details are illustrated below.
Figure R4-14: Vapor Thermal Conductivity
To view other available plots, select Output/Generate Plot to view

the Generate Plot dialog box. Select the appropriate options and
click Plot to generate and view the graph.
Distillation curves can be viewed by clicking Tools/Distillation
Curve to view the Stream Distillation Curve dialog box. Select the
appropriate stream and distillation curve options to generate the
plot.


R5 - FCC Main Fractionator

A fluidized catalytic cracker (FCC) operation is being expanded
and modified to increase gasoline production and eliminate
production of heavy cycle oil. You have to adapt an existing main
fractionator column for this new service. The flowsheet for the
column is shown in Figure R5-1.
Process Data
The new operation product slate for the 15,000 barrels/day design
basis charge is shown in Table R5-1 and Table R5-2. The column
feed is the FCC reactor effluent which is synthesized by blending
these product streams together with the 3000 lb/hr of reactor
stripping steam.
Figure R5-1: : Fractionator Column
R5 - FCC Main Fractionator Refining 2-51

Table R5-1: Column Feed Rates (Gas Plant Products) (lb/hr)
Stream 1A Stream 1B Steaam 1C

Component Off Gas C3s & C4s Gasoline
1 H2O 3000
2 H2 120
3 H2S 246
4 CO 317
5 N2 545
6 C1 3935
7 C2= 4218
8 C2 3290
9 C3= 2879 6364
10 C3 1047 2765
11 IC4= 161 2358 324
12 C4= 463 6658 560
13 IC4 586 7191 34
14 NC4 168 2521 451
15 C5= 1793
16 IC5 260 194 8755
17 NC5 104 25 1668
Total 18,336 28,706 13,585
Table R5-2: Assay Cut Temperatures (F) and Data
LV% Stream 1D Stream 1E Stream 1F

C6 plus (D86) Gasoline (D86) Light Cycle (TBP)
0 175 370 483
5 177 470 705
10 179 512 777
30 215 567 879
50 266 601 976
70 322 637 1080
90 441 694 1250
95 492 723 1391
100 537 745 1439
Barrels/hour 258.13 62.67 83.54
API Gravity 47.0 18.40 8.10
The simulation must satisfy the fractionation specifications shown

in Table R5-3 and the column pumparound conditions listed in
Table R5-4.
2-52 Refining R5 - FCC Main Fractionator

Table R5-3: Fractionation Specification
Unit/Stream Property Value

Gasoline D86 End Point 450 F
Light Cycle Oil D86 End Point 740 F
Condenser Temperature 120 F
Pressure Drop 5 psi
Main Column Top pressure 20 psig
Pressure Drop 6 psi
Bottoms 680 F
Temperature 500 lb/hr
Sidestripper Steam feed 500 lb/hr
Steam (saturated) Steam feed 150 psig
Pressure
Table R5-4: Pumparound Information
Pumparound Duty (MM Btu/ Rate (bbl/day) Return Temp (F)

hr)
Top 20 - 225
Middle 10 - 450
Bottom - 1200 -
The main fractionator is sized for single pass valve trays on 24-inch
spacings at 75% of flood. The actual column contains 24 trays, not
counting the baffles in the quench zone.
The sidestripper has eight actual trays and is represented by two
trays for the simulation.
Methods and Data

The BK10 thermodynamic system is used for the K-values,
enthalpies, and vapor densities. This system works well for main
fractionators. The API correlation is used for the liquid viscosity
predictions.
In this simulation, we have a complete distillation profile for the
slurry oil. An accurate characterization of the slurry is important
because its bubble point (column bottom temperature) is normally
used as a control parameter. In operating units, slurry data are often
incomplete, and a shortcut model of the bottom section of the
column may be used to develop the slurry oil data.

Simulation Model
The details of the simulation model are shown in Figure R5-2.
Figure R5-2: Simulation Model of Fractionation Column
Typical tray efficiencies are used to obtain the number of theoretical

trays from the actual trays. The number of trays used does not have
a critical effect on the simulation results. The quench zone is
represented by a single tray with a pumparound through a cooler.
A MIXED condenser is used, and the desired condensing
temperature is set as a performance specification. The condenser
duty is varied to meet this specification.
The gasoline draw rate is varied to meet the D86 end point
specification. Similarly, in the sidestripper, the cycle oil rate is
varied to meet the specified end point.

The quench zone cooler duty is calculated to meet the slurry oil rate
specification. The return temperature for this pumparound is
computed from the desired circulation rate. The pumparound side
coolers have cooling duties set with the HEAT statement. The
return temperatures are given and the corresponding circulation
rates calculated.
It is good practice for this type of column to fix the duty of the top
side cooler and calculate the condenser duty. For columns with no
gasoline reflux, the top side cooler must be on the top tray and the
duty calculated to meet a performance specification. The overhead
condenser is then simulated as a separate flash drum.
The bottoms temperature is used as a control variable. Its value is
determined by small amounts of dissolved light material in the
slurry oil. An increased column reflux improves the separation and
produces a heavier slurry with a higher bubble point and, hence, a
higher column bottom temperature. Conversely, a lower reflux
reduces the bottom temperature.
The column is sized for single pass valve trays at 75 percent of
flood. This option automatically rates the column with all trays at
the largest calculated standard size.
Input Data
except for pressure (psig) and liquid volume units (API barrels). To
change the liquid volume units to US gallons, click the UOM
button on the toolbar and make the required changes.
Figure Figure R5-3 illustrates the data entry window used to specify
these units of measure.

Figure R5-3: UOM Selection
Component Selection
dialog box. Select the components shown in Figure R5-4 (and in
Table R5-1) from the available databanks.

Thermodynamic Methods Selection

Click Thermodynamics on the toolbar. Click Modify... to view
Thermodynamic Data - Modification dialog box and select Braun
K10 thermodynamic method for K values, enthalpy and vapor
density calculations. Use an API correlation for the liquid viscosity
predictions as shown in Figure R5-5.
Figure R5-5: Thermodynamic Data
Stream Composition Data Entry

All the products from the process are defined in the Stream Data
Section and then blended in the flash to obtain the column feed.
To enter data for the streams shown in Table R5-1, double-click a
stream to display the Stream Data dialog, then click the Flowrate
and Composition button to enter the details. See Figure R5-6 for an
example of component flow rate data entry for stream 1C. When
finished entering data for a stream click OK to save the data and exit
the DEW. Repeat for each sfeed stream.

Figure R5-6: Stream 1C Flowrate and Composition
Stream Assay Data Entry

To enter the assay data listed in Table R5-2, double-click a stream
and select Petroleum Assay from the list box. Click on the Flowrate
and Assay to view Stream Data Flowrate and Assay dialog box.
Click Define/Edit Assay and enter the assay data in Stream Data -
Assay Definition dialog box. D2887 and gravity data are entered as
shown in Figure R5-7 on page 59. Click Molecular Weight and
Lightends and enter the relevant gravity and molecular weight data
given in Table R5-2.
Click OK to exit the data entry windows and return to the PFD. A
dialog box pops up to inform that the assay components have been
generated. Users may verify this by returning to the SIMSCI -
Components Selection dialog box (see Figure R5-4 that appeared
earlier).

Figure R5-7: Assay Definition
Unit Operation Data Entry

Double-click the column unit operation to view the Column dialog
box. By default, the Inside-Out (IO) solution algorithm is used.
Figure R5-8: Column

Click the Feeds and Products button to open the data entry window
illustrated in Figure R5-9.
Figure R5-9: Column Feed and Products
All the products from the up stream reactor process are defined in
the Stream Data Section and blended in a flash drum to obtain a
single combined column feed, stream 1, Reactor Eff. The only other
external feed is stream 5, utility steam.
to specify the vapor to be above feed tray and the liquid below feed
tray as shown
Click OK to save the data and exit the data entry window.
In the PRO/II - Column data entry window, click the Convergence
Data button to access the Column - Convergence data entry
window. Enter the damping factor as illustrated by Figure R5-10.

Figure R5-10: Convergence Data
A value of DAMP=0.6 is recommended for FCC fractionators to

improve the convergence of the calculations. The DAMP option
also is available on key word input PARAMETER statement.
Click the Tray Hydraulics/Packing button and specify the column
trays operating at 82% of flood, with an 18-inch sieve tray spacing
as shown in Figure R5-11. The column is sized for single pass valve
trays at 75 percent of flood. This option automatically rates the
column with all trays at the largest calculated standard size.

Figure R5-11: Tray Sizing
Return to the Column main window and click the Pumparounds

button to open the data entry window shown in Figure R5-12.
Figure R5-12: Pumparounds

The return temperatures are given and the corresponding circulation
rates are calculated. The pump-around duties entered in this DEW
are entered on HEAT statements when using keyword input.
Click the Performance Specifications button to enter the
specifications and the variables for the column. The specifications,
condensing temperature, gasoline D86 end point, slurry oil
flowrate, and light cycle oil D86 are defined. The controlling
variables in order to meet the specifications are condenser duty,
gasoline draw rate, and the cooler duty. See Figure R5-13.
Figure R5-13: Specifications and Variables
Column Side-stripper Data Entry

The side-stripper is entered as a separate unit operation, but PRO/II
automatically combines it with the main column and solves both as
if they were a single unit operation. This eliminates external recycle
loops required to converge separate unit operations.
Lay down a side column from the PFD palette and specify two
theoretical trays for the side stripper. Double-click the side column
icon on the flowsheet to open the main data entry window shown in
Figure R5-14.
Enter data for:
Pressure Profile
Feeds and Products
Figure R5-14: Sidestripper
The keyword listing that follows includes all the data necessary to
fully specify the side-stripper used in this example.

Keyword Input File

TITLE PROJECT=APPBRIEF,PROBLEM=R5R,USER=SIMSCI
DIMEN PRES=PSIG,LIQV=BBL
PRINT INPUT=ALL, STREAM=SUMMARY, TBP
COMPONENT DATA
LIBID 1,H2O/2,H2/3,H2S/4,CO2/5,N2/6,C1 / 7,ETHENE/ &
8,C2 /9,PROPENE /10,C3/11,IBUTENE/12,BUT1/&
13,IC4/14,NC4 /15,PNT1 /16,IC5 /17,NC5, &
CUTPOINT CUTSET=SIMSCI
ASSAY CURVEFIT = IMPROVED, CONVERSION = API94
THERMODYNAMIC DATA
METHODS SYSTEM=BK10, COND=PETR, SURF=PETR, &
VISC(V)=PETR, VISC(L)=API, SET=BK1001
STREAM DATA
PROP STREAM=1A, TEMP=980, PRES=35, PHASE=V, &
COMP(W)=1,3000/ 2, 120/ 3, 246/ 4, 317/ 5, 545/ &
6,3935/ 7,4218/ 8,3290/ 9,2876/10,1047/ &
11, 161/12, 463/13, 586/14, 168/16, 260/ &
17, 104
PROP STREAM=1B, TEMP=980, PRES=35, PHASE=V, &
COMP(W)= 9,6364 /10,2765/11,2358/12,6658/ &
13,7191 /14,2521/16, 194/17, 25
PROP STREAM=1C, TEMP=980, PRES=35, &
COMP(W)=11, 324./12, 560/13, 34/14, 451/ &
15,1793 /16,8755/17,1668
PROP STREAM=1D, TEMP=980, PRES=35, PHASE=V, &
RATE(V)=258.13, ASSAY=LV
D86 STREAM=1D, PRES(MMHG)=760, &
DATA= 0,175/ 5,177/ 10,179/ 30,215/ 50,266/&
70,322/ 90,441/ 95,492/100,537
API STREAM=1D, AVG=47
PROP STREAM=1E, TEMP=980, PRES=35, PHASE=V, &
D86 STREAM=1E, PRES(MMHG)=760, &
DATA= 0,370/ 5,470/10,512/ 30,567/ 50,601/ &
70,637/90,694/95,723/100,745
API STREAM=1E, AVG=18.4
PROP STREAM=1F, TEMP=980, PRES=35, PHASE=V, &
TBP STREAM=1F, PRES(MMHG)=760, &
DATA= 0, 483/ 5, 705/ 10, 777/ 30, 879/ &
50, 976/ 70,1080/ 90,1250/ 95,1391/100,1439
API STREAM=1F, AVG=8.1
PROP STREAM=S1, PRES=150, PHASE=V, & $ water

RATE(W)=500, COMP=1,100
PROP STREAM=S2, PRES=150, PHASE=V, & $ water
RATE(W)=500, COMP=1,100
NAME S1,MF STEAM/ S2,STRP STEAM/ 1,REACTOR EFF/ &
2,OVERHEAD GAS/ 3,GASOLINE/ 4,OVHD WATER/ &
6,LCO DRAW / 7,LCO / 8,SLURRY OIL
UNIT OPERATIONS
FLASH UID=M1,NAME=FEED MIX
FEED 1A,1B,1C,1D,1E,1F
PRODUCT V=1
ISO TEMP=980, PRES=35
COLUMN UID=T1, NAME=MAIN FRAC
PARAM TRAY=14, DAMP=0.6
FEED 1,14/ S1,14/ 5,6
COND TYPE=MIXE,PRESS=15
PROD OVHD=2, LDRAW=3,1,615/ 6,8,134, &
WATER=4,1,110, BTMS=8,69
HEAT 1,1/2,14,-30/3,10,-10/4,3,-20
PA FROM=14,TO=14,PHASE=L,RATE(V)=500
PA FROM=11,TO=10,PHASE=L,TEMP=450
PA FROM=4,TO=3,PHASE=L,TEMP=225
PRINT PROP=BRIE
ESTI MODEL=REFINE,REFLUX=500
SPEC COLUMN=T1, TRAY=1, PHASE=L, TEMP, VALUE=120
SPEC STREAM=8, RATE(V), VALUE=83
SPEC STREAM=3, D86(EP), VALUE=450
VARY HEAT=1,2,DRAW=3
TSIZ PASS=1,SPACING=24,FF=75
SIDESTRIPPER UID=T2,NAME=LCO STRP
PARAM TRAY=2
FEED 6,1/S2,2
PROD OVHD=5,BTMS=7,126
PSPEC TOP=23
SPEC STREAM=7,D86(EP),VALUE=740
VARY FEED=6
END
Results
The simulation solution confirms that the column can meet the new
service so long as the pumparound cooler duties shown on the
column summary are available.
The largest tray is the draw tray for the top pumparound at 126
inches diameter. If the existing column is less than this, then the
throughput must be reduced to avoid flooding in the top section.

Output
Click Generate Report on the toolbar to generate a report for
the entire flowsheet. Alternately, from the Tools menu, select
Spreadsheet and you can generate reports for the unit operations
and streams. The column summaries for the main fractionator and
light cycle oil stripper are shown. The tray sizing results for the
main fractionator show the required diameter of each tray. The
column is rated with the largest required standard tray size, and the
output shows the flooding factor for each tray.
Selections of the stream summary output and the distillation curve
printout are shown.
FCC Fractionator Column Summary

Unit 2, 'T1', 'MAIN FRAC'
IN/OUT METHOD 11
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 120.0 15.00 18.8 1520.9V -26.1607
669.2L
133.2W
2 334.5 20.00 5.8 2342.0
3 339.6 20.50 1462.0 2329.0 1095.1P -20.0000
4 403.4 21.00 431.8 2690.1 1095.1P
5 460.9 21.50 407.3 2755.0
6 482.8 22.00 356.0 2730.5 36.0V
7 498.1 22.50 280.8 2643.2
8 516.2 23.00 77.0 2568.0 98.7L
9 543.0 23.50 35.6 2462.9
10 555.0 24.00 474.1 2421.6 355.9P -10.0000
11 598.1 24.50 112.5 2504.1 355.9P
12 629.4 25.00 85.3 2498.4
13 640.9 25.50 36.8 2471.3
14R 655.7 26.00 2422.8 27.8V 407.1P -43.2437
2425.8M 67.6L
407.1P
SIDESTRIPPER T2
1/ 15 513.3 23.00 95.0 98.7L 36.0V
2/ 16 504.1 23.00 32.3 27.8V 90.5L

Unit 2, 'T1', 'MAIN FRAC' (Continued)

FROM TO LIQUID FLOW RATES HEAT RATES
TYPE STREAM PHASE TRAY TRAY FRAC LB-MOL/HR MM BTU/HR
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 5 VAPOR 6 0.0000 36.00 1.1357
FEED S1 VAPOR 14 0.0000 27.75 0.6005
FEED 1 MIXED 14 0.0006 2425.78 129.5575
PROD 2 VAPOR 1 1520.88 13.3118
PROD 3 LIQUID 1 669.16 2.9265
PROD 4 WATER 1 133.20 0.2110
PROD 6 LIQUID 8 98.72 5.8750
PROD 8 LIQUID 14 67.59 9.5639
SIDESTRIPPER T2
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 6 LIQUID 15 1.0000 98.72 5.8750
FEED S2 VAPOR 16 0.0000 27.75 0.6005
PROD 5 VAPOR 15 36.00 1.1357
PROD 7 LIQUID 16 90.47 5.3401

PUMPAROUNDS

---- ---- ------- ------- ------- ------- ---------- ---------- ----------
14 14 655.7 226.4 1.0000 1.0000 407.14 177.423 500.00
11 10 598.1 450.0 1.0000 1.0000 355.90 107.690 318.86
4 3 403.4 225.0 1.0000 1.0000 1095.13 201.302 651.25
SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) TRAY LIQ 1 TEMPERATURE 1.200E+02 1.200E+02
2 (ACTIVE) STRM 8 14 LV RATE 8.300E+01 8.300E+01
3 (ACTIVE) STRM 3 1 D86 EP 4.500E+02 4.500E+02
4 (ACTIVE) STRM 7 16 D86 EP 7.400E+02 7.400E+02

Unit 2, 'T1', 'MAIN FRAC' (Continued)

REFLUX RATIOS -------- REFLUX RATIOS --------
--------- --------- ---------
REFLUX / DECANTED LIQ. DISTILLATE 0.0281 0.0281 0.0281
REFLUX / TOTAL LIQUID DISTILLATE 0.0234 0.0271 0.0274
REFLUX / TOTAL DISTILLATE 0.0081 0.0144 0.0116
Tray Sizing Mechanical Data

NUMBERS PASSES IN FACTOR TYPE IN
------- --------- ------ ------------ ------ ----- ------------
1 2 - 13 1 24.00 1.00 VALVE 15.00
Tray Sizing Results

CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
---- ----- ------ ----- ------- ---- ------- ---- ------- ---- --
2 150.6 11.1 11.06 79.7 75.0 78. 74.1 84. 67.1 1
3 189.2 869.7 14.86 114.1 75.0 114. 75.2 120. 68.8 1
4 206.6 977.8 16.98 122.9 75.0 120. 78.1 126. 71.9 1
5 206.7 271.7 17.12 104.4 75.0 102. 78.2 108. 70.1 1
6 203.3 252.1 16.68 102.8 75.0 102. 75.7 108. 67.9 1
7 194.8 203.0 15.50 98.2 75.0 96. 77.5 102. 69.5 1
8 187.3 114.3 13.74 90.9 75.0 90. 74.4 96. 67.0 1
9 184.0 16.8 13.04 86.6 75.0 84. 75.5 90. 69.2 1
10 195.9 389.8 14.23 99.2 75.0 96. 79.8 102. 71.3 1
11 199.4 403.1 14.58 100.7 75.0 96. 81.8 102. 73.2 1
12 196.8 60.0 14.26 91.4 75.0 90. 74.2 96. 67.8 1
13 193.2 25.1 13.53 88.4 75.0 84. 78.8 90. 72.2 1
Tray Sizing Downcomer Width Calculation

NEXT LARGER ------- DOWNCOMER WIDTHS --------
TRAY DIAMETER SIDE CENTER OFF-CENTER
IN IN IN IN
---- ----------- ------- ------- ----------
2 84. 5.300 N/A N/A
3 120. 15.517 N/A N/A
4 126. 16.067 N/A N/A
5 108. 7.243 N/A N/A
6 108. 7.076 N/A N/A
7 102. 6.765 N/A N/A
8 96. 6.156 N/A N/A
9 90. 5.795 N/A N/A
10 102. 9.206 N/A N/A
11 102. 9.230 N/A N/A
12 96. 6.145 N/A N/A
13 90. 5.965 N/A N/A
Tray Selection for Tray Rating

VALVE DIAMETER 1.875 IN

NUMBER IN OR CAPS IN IN IN
------- ------ -------- -- --------- ------ ------- ----------
1 4 126. 1 884 16.067 N/A N/A
Tray Rating at Selected Design Tray

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, PCT
---- ----- ------ ----- ---- ---- -- ------ ------- ------------
2 150.6 11.1 11.06 126. 33.2 1 0.053 0.1 17.14
3 189.2 869.7 14.86 126. 63.2 1 0.120 10.3 48.54
4 206.6 977.8 16.98 126. 71.9 1 0.136 11.6 55.69
5 206.7 271.7 17.12 126. 57.0 1 0.106 3.2 30.41
6 203.3 252.1 16.68 126. 55.3 1 0.102 3.0 29.37
7 194.8 203.0 15.50 126. 50.7 1 0.092 2.4 26.73
8 187.3 114.3 13.74 126. 43.5 1 0.078 1.4 22.53
9 184.0 16.8 13.04 126. 39.3 1 0.066 0.2 18.69
10 195.9 389.8 14.23 126. 50.9 1 0.102 4.6 30.64
11 199.4 403.1 14.58 126. 52.2 1 0.104 4.8 31.39
12 196.8 60.0 14.26 126. 43.8 1 0.078 0.7 21.43
13 193.2 25.1 13.53 126. 40.9 1 0.070 0.3 19.50

Product Stream Summary

STREAM ID 2 3 7 8
NAME OVERHEAD GAS GASOLINE LCO SLURRY OIL
PHASE WET VAPOR WET LIQUID WET LIQUID WET LIQUID
THERMO ID BK1001 BK1001 BK1001 BK1001
RATE, LB-MOL/HR 1520.735 669.565 90.882 67.607
M LB/HR 62.893 69.094 22.187 29.453
TEMPERATURE, F 120.000 120.000 504.520 655.711
PRESSURE, PSIG 15.000 15.000 23.000 26.000
BTU/LB 211.626 42.367 22.187 29.453
M FT3/HR 318.499 N/A N/A N/A
KINEMATIC VISCOSITY, CSTOK 3.0634 N/A N/A N/A
RATE, LB-MOL/HR N/A 669.565 90.882 67.607
M LB/HR N/A 69.094 22.187 29.453
BBL/HR N/A 267.225 81.564 102.293
GAL/MIN N/A 187.057 57.094 71.605
STD LIQ RATE, BBL/HR N/A 257.596 67.601 83.002
MOLECULAR WEIGHT N/A 103.192 244.130 435.646
ENTHALPY, BTU/LB N/A 42.367 241.143 324.733
CP, BTU/LB-F N/A 0.491 0.629 0.672
DENSITY, LB/BBL N/A 258.561 272.020 287.927
Z (FROM DENSITY) N/A 0.0107 0.0184 0.0289
SURFACE TENSION, DYNE/CM N/A 20.8697 16.8006 17.1344
TH COND, BTU/HR-FT-F N/A 0.06902 0.04524 0.03860
VISCOSITY, CP N/A 0.38629 0.33356 0.60125
KINEMATIC VISCOSITY, CSTOK N/A 0.5237 0.4298 0.7319

Product Stream Summary (Continued)

STREAM ID 2 3 7 8
NAME OVERHEAD GAS GASOLINE LCO SLURRY OIL
THERMO ID BK1001 BK1001 BK1001 BK1001
------ DRY STREAM ------

RATE, LB-MOL/HR 1434.507 667.940 89.299 67.511
M LB/HR 61.340 69.065 22.158 29.451
PRES (KAYS RULE) 0.0488 0.0628 0.1274 0.1870
ACENTRIC FACTOR 0.1198 0.2876 0.6323 1.0147
WATSON K (UOPK) 14.991 11.589 10.992 11.125
API GRAVITY 157.118 53.242 19.478 8.132
------ DRY VAPOR -------

M FT3/HR 300.503 N/A N/A N/A
KINEMATIC VISCOSITY, CSTOK 2.9592 N/A N/A N/A
------ DRY LIQUID ------

RATE, LB-MOL/HR N/A 667.940 89.299 67.511
M LB/HR N/A 69.065 22.158 29.451
BBL/HR N/A 267.141 81.459 102.284
GAL/MIN N/A 186.998 57.021 71.599
STD LIQ RATE, BBL/HR N/A 257.512 67.519 82.997
SPECIFIC GRAVITY (H2O=1.0) N/A 0.7659 0.9372 1.0134
MOLECULAR WEIGHT N/A 103.400 248.136 436.240
CP, BTU/LB-F N/A 0.491 0.629 0.672
DENSITY, LB/BBL N/A 258.534 272.018 287.934
SURFACE TENSION, DYNE/CM N/A 20.7545 16.6911 17.1525
THERMAL COND, BTU/HR-FT-F N/A 0.06901 0.04522 0.03860
VISCOSITY, CP N/A 0.38593 0.33937 0.60251
KINEMATIC VISCOSITY, CSTOK N/A 0.5232 0.4373 0.7334

Product Distillation Curves

STREAM ID 3 7 8
NAME GASOLINE LCO SLURRY OIL
PHASE WET LIQUID WET LIQUID WET LIQUID
TBP AT 760 MM HG
1 LV PERCENT -57.196 421.660 341.684
5 18.092 527.165 673.229
10 67.262 550.713 780.058
30 174.671 597.460 881.008
50 258.881 634.710 978.579
70 327.686 668.434 1074.691
90 413.043 737.485 1253.552
95 485.479 773.344 1379.464
98 525.718 801.266 1426.748
TBP AT 10 MM HG
1 LV PERCENT -174.188 195.018 130.947
5 -118.363 281.105 403.321
10 -81.472 300.567 495.019
30 0.332 339.475 583.534
50 65.659 370.742 670.860
70 119.836 399.251 758.636
90 188.066 458.237 926.815
95 246.876 489.198 1049.141
98 279.912 513.463 1095.950
ASTM D86 AT 760 MM HG
1 LV PERCENT -4.172 433.905 -232.605
5 70.579 545.659 545.436
10 119.398 570.601 796.131
30 193.784 593.892 864.349
50 257.331 616.840 940.728
70 313.530 640.394 1025.204
90 396.339 702.929 1245.817
95 430.836 723.771 1297.919
98 450.000 740.000 1317.485
ASTM D86 AT 760 MM HG WITH CRACKING
1 LV PERCENT -4.172 433.905 -232.605
5 70.579 536.712 536.509
10 119.398 559.174 725.892
30 193.784 579.615 761.181
50 257.331 599.170 793.748
70 313.530 618.576 823.030
90 396.339 666.250 877.548
95 430.836 680.791 887.836
98 450.000 691.646 891.726

Product Distillation Curves

STREAM ID 3 7 8
NAME GASOLINE LCO SLURRY OIL
PHASE WET LIQUID WET LIQUID WET LIQUID
1 LV PERCENT 7.101 447.006 99.052
5 55.340 543.954 628.734
10 86.978 565.614 795.186
30 184.900 604.337 888.470
50 258.881 634.710 978.579
70 327.686 668.434 1074.691
90 413.043 737.485 1253.552
95 485.479 773.344 1379.464
98 525.718 801.266 1426.748
1 LV PERCENT -126.563 215.535 -57.436
5 -90.448 294.971 365.710
10 -66.582 312.929 508.168
30 8.210 345.229 590.150
50 65.659 370.742 670.860
70 119.836 399.251 758.636
90 188.066 458.237 926.815
95 246.876 489.198 1049.141
98 279.912 513.463 1095.950
1 WT PERCENT -47.597 346.283 416.494
5 37.381 494.856 712.879
10 92.879 528.016 808.378
30 182.619 587.527 895.412
50 258.881 634.710 978.579
70 324.534 674.125 1061.972
90 400.413 738.536 1196.385
95 540.041 800.897 1459.553
98 570.226 825.979 1492.310
TBP AT 760 MM HG
1 WT PERCENT -45.906 440.705 470.072
5 26.905 529.730 688.346
10 84.859 552.411 788.132
30 193.894 599.031 887.722
50 275.921 636.591 989.236
70 332.718 669.785 1080.201
90 433.443 740.293 1275.403
95 494.917 774.730 1386.136
98 530.516 802.592 1426.748

R6 - Sour Water Stripper

Refinery sour water is being processed in a sour water stripper
using 50 psia stripping steam. You wish to model the operation of
this column in order to determine the operating parameters which
will reduce the ammonia content in the sour water to 0.02 weight
percent.
Process Data
The process flowsheet for the sour water stripper is shown in Figure
R6-1 together with the sour water conditions.
Figure R6-1: Sour Water Stripper
You've estimated the 50 psia saturated stripping steam at 200 lb-

mole/hr and the bottoms rate at 1446 lb-mole/hr. The column
operates at 20.8 psia with a 2.17 psi pressure drop.
R6 - Sour Water Stripper Refining 2-75

Methods and Data

Sour Water system is used to predit equilibrium and enthalphy
conditions. This is a special data package provided as part of the
program specifically for sour water systems.
The components listed on the flowsheet diagram Figure R6-2 are
entered through the Component window . The Sour Water
system is selected from the Thermodynamic window.
Simulation Model
The stripper is modeled as an ordinary column with seven
theoretical stages. The sour water is fed to stage one and the
stripping steam is fed to stage seven. The stripping steam rate is
varied to meet the column performance specification of 0.02 weight
percent ammonia in the stripped water product.
The Inside/Out (I/O) algorithm is selected for rigorous solution of
the sour water stripper. The maximum number of iterations is
increased from the default of 15 to 25 because of the non-ideal
nature of the sour water system. A damping factor of 0.5 is
specified to facilitate column convergence for the same reason.
2-76 Refining R6 - Sour Water Stripper

The CONVENTIONAL initial estimate generator is selected since
it normally provides good starting profiles for sour water systems.
Very occasionally it may be necessary to employ the more CPU
intensive CHEMICALS initial estimate generator for this system.
Input Data
The column is laid down and the column data is entered through the
Column dialog box. Seven trays are specified. The condenser and
reboiler are removed by unchecking their check boxes in their Data
Entry Windows. Two feed streams are connected and supplied with
the data shown in Figure R6-1. An overhead and a bottoms product
also are connected. The purity of ammonia in the bottoms product,
which is the primary performance specification, is entered in the
Specifications and Variables dialog box shown in Figure R6-3.
Figure R6-3: Specifications and Variables
An initial rate of 200 lb-moles/hr is supplied for the stripping steam,

although the column algorithm will adjust that to meet the
specification.
The top pressure is entered as 20.8 psia with a 2.2 psi column
pressure drop. The sour water is fed to tray 1 and the stripping
steam is fed to tray 7. An initial estimate of 27,000 lb/hr of stripped
water is based on the sour water feed. The damping factor of 0.5 is
entered on the Convergence Data dialog box.

To get the K-value report at output time, the Component K-values
checkbox is checked in the Print Options dialog box.
Keyword Input File

TITLE PROJECT=APPBRIEFS, PROBLEM=R6, USER=SIMSCI
PRINT INPUT=ALL, STREAM=ALL, RATE=M
COMPONENT DATA
LIBID 1,N2/ 2,METHANE/ 3,HYSULFID/ 4,AMMONIA/ &
5,CO2/ 6,HYCYANID/ 7,HEXANE/ 8,NONANE/ &
9,H2O, BANK=SIMSCI, PROCESS
THERMODYNAMIC DATA
METHOD SYSTEM=SOUR
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=150, PRESS=25, &
PHASE=M, COMPOSITION(WT,LB/H)=1,2/ 2,3/ &
3,795.654/ 4,810.56/ 5,5/ 6,0.238/ &
7, 0.595/ 8, 0.43/ 9,25584.7
PROPERTY STREAM=2, PRESSURE=50, PHASE=V, &
COMPOSITION(M,LBM/H)=9, 200
NAME 1,Sour Water/ 2,Steam/3,Off-gas / &
4,Stripeed Water
UNIT OPERATIONS
COLUMN UID=COL1, NAME=SWS
PARAMETER TRAY=7, IO=25, DAMPING=0.5
FEED 1,1/ 2,7
PRODUCT OVHD(M)=3, BTMS(WT)=4,27000, &
SUPERSEDE=ON
PSPEC PTOP=20.8, DPCOLUMN=2.2
PRINT PROPTABLE=BRIEF, PROFILE=NONE
SPEC ID=COL1SPEC1, STREAM=4, FRACTION(WT), &
COMP=4, VALUE=0.0002
VARY FEED=2
END
Results
The sour water stripper solves in 14 iterations. The top temperature
is 212 F and the bottom temperature is 235 F.
The sour water method correctly predicts the distribution of sour
water and hydrocarbon components. Note that the gasoline
(represented by nC6 and nC9) is stripped completely. The trace
quantity of HCN in the feed is not correctly distributed in the model
because it is not a part of the sour water package. In an actual plant,
significantly more than 10-15 lb-mole/hr of HCN would be present

in the bottoms product. The electrolyte version of PRO/II contains
thermodynamic models that can be used to predict HCN
distribution in sour water strippers.
Conclusion
5436 lb/hr of 50 psia saturated stripping steam is required to reduce
the ammonia content in the sour water to 0.02 weight percent.
Output
Partial results are shown below for the simulation input given
above.
Figure R6-4: Column Summary

Figure R6-5: Column Tray Data
Table R6-6: Tray K Values

Unit 1, Column COL1 Tray K values
COMPONENT TRAY 1 TRAY 2 TRAY 3 TRAY 4
---------- ---------- ---------- ----------
1 N2 7.0246E+04 7.1544E+04 7.1287E+04 7.0438E+04
2 METHANE 3.7353E+04 3.8842E+04 3.9119E+04 3.8862E+04
3 HYSULFID 1.5478E+01 1.3085E+01 1.2230E+01 1.1841E+01
4 AMMONIA 7.6969E+00 9.3703E+00 1.0241E+01 1.0688E+01
5 CO2 2.0587E+01 2.7724E+01 3.6177E+01 4.3448E+01
6 HYCYANID 2.7662E+03 2.9487E+03 2.9929E+03 2.9778E+03
7 HEXANE 1.1965E+05 1.3444E+05 1.3852E+05 1.3856E+05
8 NONANE 1.4632E+06 1.7201E+06 1.7896E+06 1.7910E+06
9 H2O 7.0319E-01 8.3710E-01 9.1627E-01 9.5978E-01
TEMP, F 211.784 221.606 227.257 230.631

PRESS, PSIA 20.800 21.167 21.533 21.900

Unit 1, Column COL1 Tray K values (Continued)
COMPONENT TRAY 5 TRAY 6 TRAY 7
---------- ---------- ----------
1 N2 6.9367E+04 6.8226E+04 6.7074E+04
2 METHANE 3.8376E+04 3.7798E+04 3.7190E+04
3 HYSULFID 1.1670E+01 1.1703E+01 1.2249E+01
4 AMMONIA 1.0895E+01 1.0966E+01 1.0923E+01
5 CO2 4.8998E+01 5.3619E+01 5.9738E+01
6 HYCYANID 2.9383E+03 2.8895E+03 2.8376E+03
7 HEXANE 1.3708E+05 1.3502E+05 1.3276E+05
8 NONANE 1.7685E+06 1.7378E+06 1.7045E+06
9 H2O 9.8187E-01 9.9257E-01 9.9763E-01
TEMPERATURE, F 232.749 234.220 235.370

PRESSURE, PSIA 22.267 22.633 23.000Stream Prop-
erties
Figure R6-7: Stream Properties

Figure R6-8: Stream Properties (continued)

R6A - Caustic Addition to R6

Figure R6-9: R6A Flowsheet
pH control is used to preferentially drive the acid gases or ammonia

from the sour water. The PRO/II Electrolyte version can be used to
predict the effect of adding incremental amounts of 50 weight
percent caustic solution onto the top tray of the column. In this
R6A - Caustic Addition to R6 Refining 2-83

addendum to R6, the case study feature is used to show the effect of
caustic flowrate on the acid and basic gas content of the stripped
water.
Process Data
The flowsheet for this problem is shown in Figure R6-9. The feed
sour water stream composition is the same as in the original sour
water - R6 problem. The caustic feed to the stripper is 50% NaOH
in water.
Methods and Data

The electrolyte thermodynamic model SW01 is used for calculating
vapor-liquid phase equilibria. This model contains all the
components appearing in the feed streams.
Simulation Model
The sour water caustic stripper is modeled, as in R6, as a 7 tray
column. The electrolytic algorithm is used, along with a damping
factor of 0.3, and the electrolytic initial estimate model is selected.
The casestudy option is used to vary the amount of caustic in the
feed. The concentration of CO2, H2S, NH3 and HCN in the stripped
water is traced against amount of caustic added. Ionic strength and
pH is also recorded.
Input
The starting point of the simulation is generally with the
Thermodynamic dialog box .
2-84 Refining R6A - Caustic Addition to R6

The input data for the electrolyte simulation is similar as for the
sour water package simulation with some key differences
highlighted here. When selecting an electrolyte thermodynamic
system, PRO/II automatically generates the component slate.
The Electrolyte category of thermodynamic systems is chosen. The
electrolyte system is the Sour Water, and then the particular model
is the SW01 model. Note that for backwards compatibility the
SW0156 model is available. SW0156 is the same as SW01 on
PRO/II v5.61 and earlier. After clicking OK back to the flowsheet,
PRO/II will generate the component slate which can be viewed in
the Component dialog box .

Note that the components listed are not ionic species, but rather
pure component species which could form if the water was absent.
The electrolyte engine will determine what ionic species are
actually present during the simulation.
The streams are constructed as with the earlier simulation. A
caustic stream containing 50 wt% NaOH is added. For the base
case and for the initial case study, a rate of 0 lb moles/hr is desired.
However, PRO/II will not accept a zero rate external stream. You
can use a splitter to create that stream, or you can do what is done in
this case - simply make the stream a negligible but positive rate.

Figure R6-12: Flowrate and Composition
The column has a few differences. The Electrolytic distillation

algorithm. For the Convergence Data, a damping factor of 0.3 is
chosen. Choosing a small damping value is not an unusual or
unreasonable situation for electrolyte columns.

Figure R6-13: Convergence Data
Finally for the column, the Electrolytic initial estimate generator is

chosen. The Case Study dialog box is used to generate the
cases. The rate of caustic (stream C) is changed from 0 lb-mol/hr
for Case 1 (same as the base case) to 100 for Case 21.
Figure R6-14: Case Study
Results
The results are presented in Figure R6-15 and Figure R6-15. As can
be expected, acidic gases (H2S, CO2 and HCN) are captured by the
additional caustic and more of them exit with the stripped water.
However, the ammonia content of the stripped gas is significantly
reduced.

Figure R6-15: Effect of Caustic on Stripped Water Concentrations

Figure R6-16: Stripped Water Concentrations
Selected portions of component summaries for the 0 lb-mole/hr

case and 40 lb-mole/hr case are shown here.
Table R6-17: Caustic Feed: 0 lb-moles/hr

Caustic Feed: 40 lb-moles/hr

R7 - Naphtha Stream Stabilizer

A column to stabilize a wild naphtha stream to an RVP of 12 psi
has been designed. You are to check the design and establish
the duties and reflux to limit the total C5 loss in the overhead to
0.3 lb mole/hr.
Process Data
The flow sheet is shown in Figure R7-1. The column has a kettle
reboiler and a bubble point condenser.
Figure R7-1: Cyclohexane Plant Flowsheet
Methods and Data

The Grayson-Streed system is chosen for the thermodynamic
calculations. This system uses the Grayson-Streed correlation for
the K-values, Curl-Pitzer for enthalpies, SRK for vapor density, and
API for liquid density. It gives good results with nearly all refinery
hydrocarbon simulations involving components ranging from
propane to gas oils.
R7 - Naphtha Stream Stabilizer Refining 2-93

When specifying RVP, PRO/II uses the API data book nomographs
for naphtha (default) or for crude oil. This may give different results
from rigorous laboratory measurements using the ASTM D323-72
test procedure.
Simulation Model
The stabilizer is modeled as a conventional distillation column with
21 theoretical stages (including condenser and reboiler). The feed
enters at tray 17 and the overhead product is at its bubble point. The
condenser and reboiler duties are varied to achieve the RVP and C5
loss specifications.
Input Data
The dimensional units and print options are left as the default
values. This means that the dimensional units are the standard
English set.
The column and streams are laid down on the PFD as shown in
Figure R7-1.The components shown for the feed are supplied in the
component Data dialog box. Double-click the stream flow diagram
to populate the composition, flowrate and thermal properties.
No solution method is specified for the column, so it defaults to the
Inside-Out method. No estimate data are required other than for the
overhead product.
The specification on the C5 loss in the overhead is that the sum of
the i-pentane and n-pentane (components 5 and 6) must be 0.3 lb
mole/hr. The API nomograph for naphtha is used for the RVP
specification.
Double-click on the column to enter the column data. The pressure
profile is entered. Stream FD feeds the column on tray 17. An initial
estimate for the stream OV is given as 93 lb-mole/hr. The
specifications are supplied as shown in Figure R7-2.
2-94 Refining R7 - Naphtha Stream Stabilizer

Figure R7-2: Column Data
All other column input data, including algorithm type and initial
estimate procedures assume the default value.

Keyword Input File

TITLE PROJECT=AppBriefs, PROBLEM=R7, USER=SIMSCI
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1,C2 / 2,C3 / 3,IC4 / 4,NC4 / 5,IC5/ &
6,NC5 / 7,NC6 / 8,NC7 / 9,NC8 /10,NC10 &
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROPERTY STREAM=FD, TEMPER=100, PRESSURE=100, &
PHASE=M, RATE(M)=956.001, &
COMPOSITION(M)=1,1 / 2,5 / 3,100/ 4,100/ &
5,150/ 6,175/ 7,200/ 8,100/ &
9,75 /10,50, NORMALIZE
UNIT OPERATIONS
COLUMN UID=STAB, NAME=STABILIZER
PARAMETER TRAY=21, IO
FEED FD,17
PRODUCT OVHD(M)=OV,93.0001, BTMS(M)=BT, &
SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=65 $ = tray 1
DUTY 1,1,,CONDENSER
DUTY 2,21,,REBOILER
PRESSURE 2,70/21,75
SPEC ID=COL1SPEC1, STREAM=OV, RATE(LBM/H), &
COMP=5,6, WET, VALUE=0.3
SPEC ID=COL1SPEC2, STREAM=BT, RVP, VALUE=12
VARY DNAME=CONDENSER, REBOILER
END

Results
Table R7-3: Stabilizer Column Summary
The column design meets the required performance. The condenser

and reboiler duties are shown on the column summary outputshown
above. The reflux is shown as the liquid from tray 1.
The column summary output shows rates, temperatures, pressures,
and, duties.
The full stream output, consisting of the component flowrates and
the stream property summary, is also shown.

Table R7-4: Stream Component Flowrates

Table R7-5: Product Stream Summary

R7A - Stabilizer Optimization

The OPTIMIZER function of PRO/II can be used to locate the
optimum feed tray location by minimizing the column reboiler duty.
Input
Starting with the same file given in R7, add an optimizer unit
operation to adjust the feed tray location to minimize the reboiler
duty, keeping all other specifications and column conditions the
same.The Figure R7-6 shows the optimizer unit.
Figure R7-6: Stabilizer flowsheet with Optimizer unit
2-100 Refining R7A - Stabilizer Optimization

Keyword Input File

TITLE PROJECT=AppBriefs, PROBLEM=R7A, USER=SIMSCI
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1,C2 / 2,C3 / 3,IC4 / 4,NC4 / 5,IC5/ &
6,NC5 / 7,NC6 / 8,NC7 / 9,NC8 /10,NC10 &
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROPERTY STREAM=FD, TEMPER=100, PRESSURE=100, &
PHASE=M, RATE(M)=956.001, &
COMPOSITION(M)=1,1 / 2,5 / 3,100/ 4,100/ &
5,150/ 6,175/ 7,200/ 8,100/ &
9,75 /10,50, NORMALIZE
UNIT OPERATIONS
COLUMN UID=STAB, NAME=STABILIZER
PARAMETER TRAY=21, IO
FEED FD,17
PRODUCT OVHD(M)=OV,93.0001, BTMS(M)=BT, &
SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=65 $ = tray 1
DUTY 1,1,,CONDENSER
DUTY 2,21,,REBOILER
PRESSURE 2,70/21,75
SPEC ID=COL1SPEC1, STREAM=OV, RATE(LBM/H), &
COMP=5,6, WET, VALUE=0.3
SPEC ID=COL1SPEC2, STREAM=BT, RVP, VALUE=12
VARY DNAME=CONDENSER, REBOILER
OPTIMIZER UID=OPT1, NAME=OPTIMIZER
VARY ID=VARY_4, COLUMN=STAB, FTRAY(1), MINI=2, MAXI=20, &
STEPSIZE=1
OBJECTIVE COLUMN=STAB, DNAME(BTU/HR)=2, MINUS,8.5, &
MINIMIZE
OPTPARAMETER IPRINT=ALL
END
Results
The optimum feed location is found to be between trays 15 and 16,
resulting in a minimum reboiler duty of 8.832 MMBtu/hr. This
minimum is a reduction of 2.3% from the original duty of 9.037
MMBtu/hr.
R7A - Stabilizer Optimization Refining 2-101

Figure R7-7 was created using the Tools/Spreadsheet/Optimizer
chart maker.
Figure R7-7: Objective Function Plot
The column summary output shown in Figure R7-8 displays the

flowrates, temperatures, pressures, and duties.
The stream property summary is also shown in Table R7-8.

Table R7-8: Column Summary
R7A - Stabilizer Optimization Refining 2-103

Table R7-9: Stream Summary

R8 - Naphtha Splitter
A column splits out the C5 components from a naphtha stream for
use as an isomerization feedstock. Recent analyses have found an
excessive amount of heavier components in the isomerization feed
which has an adverse effect on the process. You must determine the
operating conditions which will meet the required specifications
and calculate the C5 product flowrate.
Figure R8-1: Flowsheet
R8 - Naphtha Splitter Refining 2-105

Process Data
The flowsheet and process conditions are shown in Figure R8-1.
The isomerization feed is the product from the sidestripper.
The feed composition and conditions are listed in Table R8-1.
Table R8-1: Feed Stream Information
Component Weight% Component Weight%

Ethane 0.05 Cyclohexane 1.04
Propane 2.45 1,1- 3.03
Dimethylcyclopentane
i-Butane 2.15 2- Methylhexane 3.09
n-Butane 5.74 Heptane 3.10
i-Pentane 4.01 2,2,4-Trimethylpentane 4.23
n-Pentane 4.90 Methylcyclohexane 2.43
Cyclopentane 0.11 Toluene 2.28
2- Methylpentane 4.52 1,1-Dimethylcyclohexane 3.12
Hexane 3.73 1-Methyl-2- 2.77
ethylcyclopentane
Methylcyclopentane 2.34 CB+ 43.95
Benzene 0.96
Flowrate (bbl/hr) 670
Temperature (F) 360
Pressure (psig) 165
The column specifications required to produce the defined

isomerization feed stream are listed in Table R8-2. The amount of
C5 components in the overhead and the C6 in the bottoms are
limited in order to force the C5 cut into the sidedraw. The
sidestripper specifications restrict the amount of C4 and C6
components in the isomerization feed.
Table R8-2: Product Specifications
Specification Value
i-Pentane in overhead product (LV%) 1.3
2-Methlypentane in bottom product (LV%) 5.0
Butane in sidestripper product (LV%) 1.5
Hexane in sidestripper product (LV%) 4.0
2-106 Refining R8 - Naphtha Splitter

Methods and Data

The Soave-Redlich-Kwong system is specified for all
thermodynamic calculations. The default API liquid density method
is used. The heavy C8+ component is defined as decane. The exact
nature of this component is not important, as virtually all of it
leaves in the bottom product of the column.
Simulation Model
The main column has 31 theoretical stages, including the reboiler
and bubble point condenser. The reboiled sidestripper contains 8
theoretical stages. The column and sidestripper are modeled as
conventional columns and use the default IO solution method which
calculates them simultaneously. The duties and the rates between
the column and sidestripper are calculated to meet the purity
specifications.
Input Data
English units are used for this simulation. The pressure units are
reset to psig and the standard liquid volume units are reset to US
barrels on the Units of Measure dialog box .
The components shown in Table R8-1 are selected on the
Component Data dialog box . As previously mentioned, the
C8+ component is defined as decane, and renamed to C8+ shown in
Figure R8-2.

SRK is chosen as the thermodynamic system in the

Thermodynamic Data dialog box .
The column, sidestripper, and streams are laid down as shown in
Figure R8-1. The main column has 31 theoretical trays and both a
condenser and reboiler, while the sidestripper has 8 theoretical trays
and a reboiler only. The feed stream FD is populated by double-
clicking on FD and entering the stream data from Table R8-1 in the
flowrate and Composition window of Figure R8-3.

Figure R8-3: Stream Data - Flowrate and Composition

The main column data is entered by double-clicking on the main
column object. The pressures are entered as shown in the flowsheet
Figure R8-1. The feed trays are entered. FD enters the column on
theoretical tray 19, and the sidestripper return VAP enters the
column on tray 9. Stream OVHD is estimated to be 300 lb-mol/hr.
The draw for the sidestripper is estimated as 600 lb-mol/hr. This
rate is initially a fixed value but will be freed to float when the
specifications and variables are entered.
Figure R8-4: Column - Feeds and Products
To assist convergence, an initial estimate for reflux ratio of 8.0 is

provided.

Figure R8-5: Column - Initial Estimates
The Performance Specifications are double-clicked to enter the

specifications and variables.

Figure R8-6: Column - Specifications and Variables
Because the main column and sidestripper are integrated and solved
as a single solution matrix, the specifications and variables for both
appear on the same dialog box to assure a matching set - in this
case, four specifications and four variables. The specifications
given in Table R8-2 are entered under Specifications. The three
duties are varied, as well as the draw from the main column to the
sidestripper.
The sidestripper is entered. The pressure profiles are provided as
shown in Figure R8-1, and a return vapor estimate of 450 lb-mol/hr
is entered.

Keyword Input File

PRINT INPUT=ALL, STREAM=COMPONENT, RATE=WT, PERCENT=WT
COMPONENT DATA
LIBID 1,C2 / 2,C3 / 3,IC4 / 4,NC4 / 5,IC5/ &
6,NC5 / 7,CP / 8,2MP / 9,NC6 /10,MCP/ &
11,BENZENE/12,CH /13,11CP /14,2MHX /15,NC7/ &
16,224MPN /17,MCH /18,TOLUENE/19,11MCH/ &
20,1T2ECP/21,NC10,,C8+ &
THERMODYNAMIC DATA
STREAM DATA
PROPERTY STREAM=FD, TEMP=360, PRESS=165, PHASE=M, &
RATE(LV)=669.999, &
COMPOSITION(WT)= 1,0.05 / 2,2.45 / 3,2.15 / &
4,5.74 / 5,4.01 / 6,4.9 / 7,0.11 / &
8,4.52 / 9,3.73 /10,2.34 /11,0.96 / &
12,1.04 /13,3.03 /14,3.09 /15,3.1 / &
16,4.23 /17,2.43 /18,2.28 /19,3.12 / &
20,2.77 /21,43.95, NORMALIZE
PROPERTY STREAM=VAP, TEMPERATURE=250, PHASE=V, &
COMPOSITION(WT,LB/H)=3,5000/ 4,5000/ 5,5000/ 6,5000
UNIT OPERATIONS
COLUMN UID=SPLT, NAME=SPLITTER COL
FEED FD,19/VAP,9
PRODUCT OVHD(M)=OVHD,300, LDRAW(M)=SLIQ,11,600, &
BTMS(M)=BTMS, SUPERSEDE=ON
CONDENSER TYPE=BUBB
DUTY 1,1,,CONDENSER
DUTY 2,31,,REBOILER
PRINT PROPTABLE=BRIEF
PRESSURE 1,145.001/2,150/30,155/31,156
SPEC ID=COL1SPEC1, STREAM=OVHD, FRACTION(LV), &
SPEC ID=COL1SPEC2, STREAM=BTMS, FRACTION(LV), &
VARY DNAME=REBOILER, CONDENSER
SIDESTRIPPER UID=SS1, NAME=SIDESTRIPPER
FEED SLIQ,1
PRODUCT OVHD(M)=VAP,450, BTMS(M)=MID, SUPERSEDE=ON

DUTY 1,8,,REBOILER
PRESSURE 1,153/7,154/8,155
SPEC ID=SCOL1SPEC1, STREAM=MID, FRACTION(LV), &
COMP=3,4,WET, VALUE=0.015
SPEC ID=SCOL1SPEC2, STREAM=MID, FRACTION(LV), &
VARY DNAME=REBOILER
VARY FEED=SLIQ
END
Results
The column can meet the required specifications on the C5 product
with column and sidestripper reboiler duties of 12.8 and 2.7 MM
Btu/hr, respectively. The condenser duty is -14.3 MM Btu/hr.
The flowrate of the C5 product is 16835 lb/hr.
Conclusions
Unless there are hydraulic restrictions, the existing configuration
can produce the required isomerization feedstock if the calculated
duties are available. If the column does not meet the specification
with these operating conditions, then it will be necessary to
investigate the column for mechanical problems such as tray
fouling.
Output
The column summaries show the internal flowrates in the columns,
as well as the duties required to meet the specifications. The weight
flowrates and compositions are also shown for the feed and product
streams.

Column Summary
Rigorous Column 'SPLT', 'SPLITTER COL'

TOTAL ALL TRIALS 4
COLUMN SUMMARY

------ ------- -------- -------- -------- --------- --------- ------------
1C 139.2 145.00 1683.0 310.1L -15.0675
2 160.4 150.00 1707.5 1993.2
3 171.4 150.18 1703.1 2017.6
4 178.9 150.36 1684.8 2013.2
5 185.5 150.54 1655.0 1994.9
6 192.6 150.71 1619.1 1965.2
7 200.6 150.89 1583.6 1929.2
8 209.2 151.07 1553.6 1893.8
9 217.6 151.25 1528.6 1863.8 421.9V
10 221.9 151.43 1509.4 1416.9
11 228.1 151.61 915.1 1397.6 564.0L
12 237.3 151.79 881.4 1367.4
13 246.6 151.96 844.6 1333.6
14 256.5 152.14 806.7 1296.9
15 267.0 152.32 768.3 1258.9
16 278.0 152.50 724.9 1220.5
17 290.3 152.68 652.9 1177.1
18 309.0 152.86 514.7 1105.1
19 345.5 153.04 1734.3 967.0 1649.0M
20 348.4 153.21 1765.6 537.6
21 351.0 153.39 1792.3 568.9
22 353.4 153.57 1816.2 595.6
23 355.7 153.75 1838.9 619.4
24 358.2 153.93 1861.8 642.1
25 360.9 154.11 1886.2 665.1
26 364.1 154.29 1912.8 689.4
27 368.1 154.46 1942.7 716.1
28 373.4 154.64 1976.0 745.9
29 381.7 154.82 2008.5 779.2
30 396.9 155.00 2021.9 811.8
31R 430.7 156.00 825.2 1196.7L 12.5077

SIDESTRIPPER SS1
1/ 32 237.7 153.00 574.8 564.0L 421.9V
2/ 33 244.5 153.17 580.7 432.7
3/ 34 249.8 153.33 585.1 438.6
4/ 35 254.1 153.50 588.4 443.0
5/ 36 257.8 153.67 590.4 446.3
6/ 37 261.2 153.83 590.5 448.3
7/ 38 264.8 154.00 587.1 448.4
8/ 39R 270.3 155.00 445.0 142.1L 3.6442

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED VAP VAPOR 9 0.0000 421.92 6.6510
FEED FD MIXED 19 0.7570 1648.97 34.0856
PROD OVHD LIQUID 1 310.14 1.0833
PROD SLIQ LIQUID 11 564.02 4.5058
PROD BTMS LIQUID 31 1196.73 32.5845
SIDESTRIPPER SS1
FEED SLIQ LIQUID 32 1.0000 564.02 4.5058

PROD VAP VAPOR 32 421.92 6.6510
PROD MID LIQUID 39 142.10 1.4992

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM OVHD 1 5 LV FRACTION 1.300E-02 1.300E-02
2 (ACTIVE) STRM BTMS 31 8 LV FRACTION 5.000E-02 5.000E-02
3 (ACTIVE) STRM MID 39 3- 4 LV FRACTION 1.500E-02 1.500E-02
4 (ACTIVE) STRM MID 39 9 LV FRACTION 4.000E-02 4.000E-02

Weight Stream Compositions (%)

STREAM ID BTMS FD MID OVHD
NAME
PHASE LIQUID MIXED LIQUID LIQUID
FLUID WEIGHT PERCENTS

1 C2 8.6060E-09 0.0500 7.1811E-08 0.4892
2 C3 3.0727E-04 2.4500 9.5089E-04 23.9666
3 IC4 0.0288 2.1500 0.1139 20.7284
4 NC4 0.3108 5.7400 1.2585 52.8308
5 IC5 1.7344 4.0100 37.5173 1.4488
6 NC5 2.6532 4.9000 40.8967 0.5355
7 CP 0.0844 0.1100 0.6154 4.7384E-04
8 2MP 4.5328 4.5200 11.5267 2.4800E-04
9 NC6 4.1534 3.7300 4.1715 8.8240E-06
10 MCP 2.6536 2.3400 1.9957 6.0635E-06
11 BENZENE 1.0856 0.9600 0.8581 5.0510E-06
12 CH 1.2191 1.0400 0.3728 2.8653E-07
13 11CP 3.6129 3.0300 0.2964 1.9222E-08
14 2MHX 3.6920 3.0900 0.2049 4.6076E-09
15 NC7 3.7152 3.1000 0.0601 1.9674E-10
16 224MPN 5.0712 4.2300 0.0586 1.4897E-10
17 MCH 2.9133 2.4300 0.0325 1.3186E-10
18 TOLUENE 2.7345 2.2800 0.0173 3.1074E-11
19 11MCH 3.7437 3.1200 1.3128E-03 3.4445E-14
20 1T2ECP 3.3237 2.7700 1.3033E-03 3.6835E-14
21 C8+ 52.7372 43.9500 1.0107E-06 0.0000
TOTAL RATE, LB/HR 136502.4084 163794.2094 10550.0130 16741.7879
TEMPERATURE, F 430.7571 360.0000 270.2785 139.1839

PRESSURE, PSIG 156.0000 165.0000 155.0000 145.0000
WEIGHT FRAC VAPOR 0.0000 0.1622 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 0.8378 1.0000 1.0000


Section 3: PetroChemicals
P1 - C3 Splitter
Propane/propylene is to be split in a conventional fractionator with
149 theoretical trays including condenser and reboiler. VLE data is
available at the column thermal conditions, from which Peng-Rob-
inson interaction coefficients were regressed, using the REGRESS,
a program included with the Thermo Data Manager that may be
installed with PRO/II. The flowsheet is shown in Figure P1-1.
Figure P1-1: C3 Splitter Column
P1 - C3 Splitter Petrochemicals 3-1

ProcessData
The feed composition is as follows:
Table P1-1: C3 Feed Composition
Component lb moles/hr
Ethane 0.3
Propylene 550.0
Propane 200.0
Butane 5.0
The known process conditions are as follows:

Table P1-2: C3 Process Conditions
Pressure Thermal
(psia) Conditions
Feed Stream 240 Bubble point
Column
Condenser 220 Bubble point
Top 225
Reboiler 250
The feed is pumped from grade to the feed tray. This accomplished
by an external pump that is ignored in this column simulation.
3-2 Petrochemicals P1 - C3 Splitter

Methods and Data

Peng-Robinson is selected for equilibrium, enthalpy, and vapor
phase density calculations, while Lee-Kesler is used for liquid
phase density. REGRESS calculated the Peng-Robinson interaction
coefficient (KIJ) between propane and propene to be 0.00663. Fig-
ure P1-2 demonstrates the data entry window used to enter the
interaction coeffient through the Graphical User Interface.
Figure P1-2: Interaction Coefficient Data Entry in PROVISION
Refer to the Thermo Data Manager User Guide for instructions to

learn about using the REGRESS program.
SimulationModel
The propane/propylene splitter is modeled as a conventional distil-
lation column with 149 theoretical stages, including the condenser
and reboiler. The column has a bubble point condenser and tight
composition specifications on the top and bottom products.

Input Data
The input data follows below. English dimensional units are used
throughout the simulation. The KIJ is entered following the
KVALUE statement in the thermo data section.
Input Data File
TITLE PROBLEM=P1, PROJECT=APPBRIEFS, USER=SIMSCI, &

DATE=Nov_2008
COMP DATA
LIBID 1, C2/ 2, PROPENE/ 3 ,C3/ 4, NC4 &
THERMO DATA
METHOD SYSTEM=PR, DENSITY(L)=LK
KVALUE
KIJ 2, 3, 0.00663
STREAM DATA
PROP STRM=FD, PHASE=L, PRES=245, &
COMP=0.3/ 550/ 200/ 5
UNIT OPS DATA
COLUMN UID=C3SP
PARA TRAY=149, IO=40
FEED FD,110
PROD OVHD=TOPS, 542, BTMS=BOTS
COND TYPE=BUBB
PRES 1, 220/ 2, 225/ 149, 250
HEAT 1, 1 / 2, 149
ESTIMATE MODEL=CONV, RRATIO=15
SPEC STRM=BOTS, COMP=2, FRAC(V), VALUE=0.04
SPEC STRM=TOPS, COMP=3, FRAC(W), VALUE=0.004
VARY HEAT=1, 2
END

Output
Selected trays from the column summary are shown here. Note the
excellent overall material balance on the Stream Component Flow
Rates Summary, despite the large number of trays.
Column Summary
UNIT 1, 'C3SP'
IN/OUT METHOD 3
COLUMN SUMMARY
------ ------- -------- -------- -------- ------- --------- ----------
1C 97.1 220.00 8658.4 543.3L -52.5309
2 98.9 225.00 8737.1 9201.7
3 99.0 225.17 8739.5 9280.4
10 99.4 226.36 8754.7 9295.8
20 100.1 228.06 8776.3 9317.4
30 100.7 229.76 8798.3 9339.3
40 101.4 231.46 8820.6 9361.6
50 102.1 233.16 8843.6 9384.5
60 102.9 234.86 8868.1 9408.9
70 103.7 236.56 8894.7 9435.2
80 104.7 238.27 8922.8 9463.2
90 105.7 239.97 8952.0 9492.3
100 107.0 241.67 8982.4 9522.6
110 108.4 243.37 9764.5 9551.3 755.3M
120 110.7 245.07 9805.2 9588.8
130 114.7 246.77 9851.4 9634.6
140 119.0 248.47 9898.1 9681.6
146 120.9 249.49 9912.8 9703.0
147 121.3 249.66 9902.0 9700.7
148 121.9 249.83 9872.0 9690.0
149R 123.0 250.00 9659.9 212.0L 52.4173

Feed and Product Streams
TYPE STREAM PHASE
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED FD MIXED 110 0.9969 755.30 1.6505
PROD TOPS LIQUID 1 543.26 0.9431
PROD BOTS LIQUID 149 212.04 0.5919

Specifications
------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM BOTS 149 2 LV FRACTION 4.000E-02 3.999E-02
2 (ACTIVE) STRM TOPS 1 3 WT FRACTION 4.000E-03 4.000E-03
Stream Molar Component Rates

STREAM ID BOTS FD TOPS
NAME
PHASE LIQUID LIQUID LIQUID

1 C2 4.6005E-17 0.3000 0.3000
2 PROPENE 9.1155 550.0000 540.8845
3 C3 197.9262 200.0000 2.0738
4 NC4 5.0000 5.0000 0.0000
TEMPERATURE, F 122.9943 108.9792 97.0922

PRESSURE, PSIA 250.0000 245.0000 220.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000

P2 - Aromatics Separation
Distillation column BTB shown in Figure P2-2-1 has been designed
to remove toluene and biphenyl impurities from a predominantly
benzene stream. The benzene is the overhead product with the
biphenyl in the bottoms. The toluene product is a vapor side draw
(stream 3) from the column.
This simulation intends to demonstrate that the design satisfies all
the required product specifications.
Figure P2-1: Aromatics Separation Column
P2 - Aromatics Separation Petrochemicals 3-7

Process Data
The process flow diagram and the column operating conditions are
shown in Figure P2-2-1. The column has 39 theoretical trays
including the reboiler and total condenser. The vapor side draw is
taken from tray 32.
The state variables of feed stream 1 are listed in Table P2-3.
Table P2-3: BTB Feed Information
Component kg moles/hr
Benzene 302
Toluene 16
Biphenyl 14
Temperature, K 380
Pressure, kPa 180
The column must meet the three purity specifications which are
shown in Table P2-4.
Table P2-4: Column BTB Process Conditions
Specification Value
Benzene mole % in overhead product 2 99.5
Toluene mole % in side draw (stream 3) 95.0
Biphenyl mole % in bottoms product 4 95.5
Methods and Data

The Grayson-Streed thermodynamic method is selected as the most
suitable for this type of aromatic system. Curl-Pitzer is used for
enthalpy and the API Data Book method for liquid density.
Simulation Model
The column is simulated as a conventional fractionator and uses the
default IO solution method.
3-8 Petrochemicals P2 - Aromatics Separation

Input Data
SI units are used throughout (see the DIMENSION statement), and the
stream compositions are printed as percentages by entering the
PRINT PERCENT statement (after the TITLE statement).
The condenser and reboiler duties and the side draw rate are varied
to meet the purity specifications.
Input Data File

TITLE PROJ=APPBRIEFS, PROB=P2G, USER=SIMSCI, DATE=Nov08
PRINT PERCENT
DIMENSION SI
DESC -
DESC -- Input file name is P2G.inp --
DESC -- Problem P2 Aromatics Separation --
DESC - Alternate column Specifications were removed.
DESC -
COMPONENT DATA
LIBID 1, BENZENE/ 2, TOLUENE/ 3, BIPHENYL, &
THERMODYNAMIC DATA
METHODS SYSTEM=GS
STREAM DATA
PROP STREAM=1, TEMP=380, PRES=180, COMP=1,302/ 2,16/ 3,14
NAME 1, FEED/ 2, BENZENE/ 3, TOLUENE/ 4, BIPHENYL
UNIT OPERATIONS
COLUMN UID=BTB, NAME=AROMATIC TWR
PARAM TRAY=39
FEED 1, 19
COND TYPE=TFIX, PRESS=129, TEMP=343
PROD OVHD=2, BTMS=4, 14, VDRAW=3, 32, 16
HEAT 1,1/2,39
VARY HEAT=1, 2, DRAW=3
PSPEC TOP=150, DPCOL=41
ESTI CTEMP=343,RRATIO=1
SPEC STREAM=2, FRAC, COMP=1, VALUE=0.9995, RTOL=2.5E-4
SPEC STREAM=3, FRAC, COMP=2, VALUE=0.95, ATOL=0.001
SPEC STREAM=4, FRAC, COMP=3, VALUE=0.955, RTOL=0.001
END

Output
Column Summary Output
UNIT 1, 'BTB', 'AROMATIC TWR'
IN/OUT METHOD 4
COLUMN SUMMARY
DEG K KPA KG-MOL/HR M*KJ/HR
------ ------- -------- -------- -------- --------- --------- ------------
1C 343.0 129.00 295.2 301.4L -19.6622
2 367.1 150.00 328.3 596.6
3 367.4 151.11 328.1 629.6
4 367.7 152.22 327.9 629.5
5 368.0 153.32 327.8 629.3
6 368.3 154.43 327.5 629.1
7 368.6 155.54 327.3 628.9
8 368.9 156.65 327.1 628.7
9 369.3 157.76 326.8 628.4
10 369.6 158.86 326.5 628.2
11 369.9 159.97 326.2 627.9
12 370.3 161.08 325.8 627.6
13 370.6 162.19 325.4 627.2
14 371.0 163.30 325.0 626.8
15 371.4 164.41 324.5 626.4
16 371.8 165.51 324.0 625.9
17 372.2 166.62 323.4 625.4
18 372.7 167.73 319.8 624.7
19 374.4 168.84 455.9 621.2 332.0M
20 374.7 169.95 456.0 425.3
21 375.1 171.05 455.8 425.4
22 375.6 172.16 455.1 425.2
23 376.4 173.27 453.5 424.5
24 377.8 174.38 450.3 422.9
25 380.2 175.49 444.8 419.7
26 384.1 176.59 437.7 414.2
27 389.5 177.70 431.2 407.1
28 395.4 178.81 427.6 400.6
29 400.6 179.92 427.0 397.0
30 404.3 181.03 427.7 396.3
31 406.6 182.14 428.6 397.1
32 408.0 183.24 429.3 398.0 16.0V
33 408.8 184.35 429.8 414.7
34 409.4 185.46 430.2 415.2
35 409.8 186.57 430.3 415.6
36 410.2 187.68 424.8 415.7
37 413.3 188.78 348.3 410.2
38 455.8 189.89 229.3 333.7
39R 539.4 191.00 214.7 14.6L 13.8091

UNIT 1, 'BTB', 'AROMATIC TWR' (cont.)
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 MIXED 19 0.4181 332.00 10.9598
PROD 2 LIQUID 1 301.36 3.0920
PROD 3 VAPOR 32 15.99 0.8730
PROD 4 LIQUID 39 14.65 1.1414

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM 2 1 1 MOL FRACTION 9.995E-01 9.995E-01
REFLUX RATIOS
-------- REFLUX RATIOS --------

--------- --------- ---------
REFLUX / LIQUID DISTILLATE 0.9795 0.9795 0.9795


P3 - Ethylene Fractionator
The ethylene reactor effluent from your ethylene plant is quenched
in a primary fractionator with heavy fuel oil. You wish to determine
the product split from the fractionator for an alternate plant operat-
ing case which will result in a modified reactor effluent stream
feeding the fractionator.
Process Data
The process flowsheet for the ethylene plant primary fractionator
and water quench system is shown below in Figure P3-1.
Figure P3-1: Ethylene Fractionation Process Flow Diagram
The system consists of the primary fractionator, a gas oil side strip-
per, a heavy fuel oil side stripper, and a water quench tower.
The ethylene reactor effluent enters below the bottom tray of the
primary fractionator and is quenched with heavy fuel oil, a portion
of which is combined with the effluent feed and the remaining por-
P3 - Ethylene Fractionator Petrochemicals 3-13

tion which is fed to the tray above. Further quenching takes place in
the column and the overhead product enters a water quench tower
for final quenching.
The information for the feed stream is given in the table below:
Table P3-1: Ethylene Fractionator Feed
Reactor Effluent Wash Gas
Component (lb mol / hr) (lb mol / hr) API
Water 41760 125 --
H2 2672 1 --
Methane 4825 1 --
Ethylene 7355 11 --
Propylene 2467 14 --
i-Butane 1324 22 --
3-Methyl-1-Butene 156 2 --
1-Hexene 203 19 --
Benzene 398 36 --
1-Heptene 59 26 --
Toluene 242 27 --
N-Octane 31 -- --
M-Xylene 148 38 --
BP 316 57 15 22.81
BP 336 173 43 20.65
BP 363 66 18 18.55
BP 388 38 -- 16.67
BP 425 75 -- 16.63
BP 475 137 -- 16.36
BP 525 112 -- 11.43
BP 575 61 -- 9.30
BP 650 87 -- 5.88
BP 750 59 -- 1.36
BP 1100 157 -- -9.52
Total 62122 398
Temperature, F 1067 300 --
Pressure, psia Feed Tray Pressure --
3-14 Petrochemicals P3 - Ethylene Fractionator

Operating conditions based on recent plant test data are:
Table P3-2: Operating Conditions
Primary Fractionator
Gasoline Reflux, bbl per hr 3000
Gas oil stripper liquid draw, bbl per hr 155
Heavy fuel oil stripper draw, bbl per hr 406
Quench oil combined with feed

Rate, bbl per hr 33000
Temperature, F 365
Quench oil to tray 13
Temperature, F 320
Primary fractionator bottom tray temp, F 420
Stripping steam (50 psia, saturated)
Gas oil stripper, lb per hr 23000
Heavy fuel oil stripper, lb per hr 27000
Tray 1 pressure, psia 23.0
Tray 10 pressure, psia 25.0
Tray 1 temp/press (F, psia) 105 / 21.0
Products from the primary fractionator include a gas oil side prod-
uct and a heavy fuel oil bottoms product. Products from the water
quench tower include the raw gas overhead product and the liquid
product which is separated into gasoline and water products in a
two-phase liquid separator. A large portion of the gasoline product
provides reflux to the primary fractionator.
Product rates are estimated as follows:
Table P3-3: Product Rate Estimates
Stream Rate, lb mole per hr
Raw Gas 20,640
Water 600,000
Gasoline 500
Gas Oil 325
Heavy Fuel Oil 530

Methods and Data

The Peng-Robinson (PR) thermodynamic system is used, along
with COSTALD liquid densities as recommended in the Applica-
tion Guidelines of the PRO/II Keyword Input Manual. Peng-Robin-
son is a cubic equation of state recommended for most light-
hydrocarbon, petrochemical applications. Other methods recom-
mended for this type of system include Soave-Redlich-Kwong and
Benedict-Webb-Rubin-Starling equations of state.
Simulation Model
The simulation flowsheet is shown above in Figure P3-2.
Figure P3-2: Ethylene Fractiionation Simulation Flow Diagram

Note that the water quench tower, primary fractionator, and fuel oil
stripper are combined together into a single column of 16 theoreti-
cal stages. The advantage of this simulation model is the elimina-
tion of the gasoline recycle stream between the primary fractionator
and the quench tower.
The special FREEWATER option available in the SURE algorithm
is used to allow a water liquid phase as well as a hydrocarbon liquid
phase to exist on each column tray . The water is decanted from the
quench section of the column with a total water draw on tray num-
ber 4. The gasoline product is produced as a side draw, also from
tray number 4. The net liquid from tray 4 to tray 5 (excluding the
gasoline product) corresponds to the gasoline reflux stream in the
original flowsheet.
The water quench system is simulated with a water feed on each of
the top four column trays. The water flowrates are adjusted to meet
the specifications on tray temperatures in the actual quench tower
using a multivariable controller (MVC). Although the SURE algo-
rithm supports varying the feed rates within the column algorithm,
varying them externally via the MVC is easier to converge in this
case.
The heavy fuel oil quench stream which is combined with the reac-
tor effluent feed stream prior to entering the primary fractionator is
simulated by a pumparound circuit from tray 14 to tray 14 with a
cooler on tray 14 (the feed tray). The circulation rate of the 365 F
fuel oil quench stream is specified at 33000 BPH.
The quench recycle to the tray above the feed tray, tray 13, is also
modeled as a pumparound circuit, and the associated cooler Q5 is
placed on tray 13. The return temperature is set at 320 F with PRO/
II calculating the quench recycle rate.
The following column operating parameters are specified:
Tray 1 Temperature (F) 105
Tray 4 net liquid gasoline reflux (BPH) 3000
Tray 12 draw Gas Oil Stripper feed (BPH) 155

The following column operating parameters are calculated:
Water quench rates (W1, W2, W3, W4)
Pumparound coller duty (Q5)
Gasoline product rate (stream 4)
Gas Oil Stripper draw rate (stream 7)
Input Data
The following keyword input file includes all the information dis-
cussed above. Special attention is drawn to the following annota-
tions in the listing.
Note 1: The LIQVOL=BBL entry on the DIMENSION state-
ment changes the default liquid volume units of FT3 (cubic
feet) to BBL (API barrels).
Note 2: The heavy boiling components in the feed are char-
acterized as petroleum components. The input reprint sum-
mary is suppressed and the standard stream reports are
suppressed and replaced with user defined stream reports.
Note 3: The keyword statements OUTPUT and FORMAT in
the STREAM DATA section are now mapped to Stream Prop-
erty Table in PROVISION GUI. Importing these keyword
statements into PRO/II can be viewed in SPT in the flow
sheet. Exporting SPT in PROVISION GUI results into
OUTPUT and FORMAT keyword statements.
Note 4: An MVC unit is used to set the water quench tower
tray temperatures.
Input Data File
TITLE PROJECT=AppBrief, PROBLEM=P3, USER=SIMSCI, DATE=Nov2008
DESC -- Input file P3 --
DESC -- Ethylene Fractionator --
PRINT INPUT=NONE, STREAM=NONE, TBP
DIMENSION ENGLISH, LIQVOL=BBL $ Note 1
SEQUENCE SIMSCI
$
COMPONENT DATA
LIBID 1, WATER / 2, H2 / 3, METHANE / 4, ETHENE / &
5, PROPENE / 6, 1BUTENE / 7, 3M1BUTEN/ 8, 1HEXENE/ &
9, BENZENE / 10,1HEPTENE / 11, TOLUENE / 12, OCTANE / &
13, MXYLENE, BANK=SIMSCI, PROCESS
PETRO 14,BP316,,22.81,316
PETRO 15,BP338,,20.65,338
PETRO 16,BP363,,18.55,363

PETRO 17,BP388,,16.6699,388
PETRO 18,BP425,,16.63,424.999
PETRO 19,BP475,,16.36,475
PETRO 20,BP525,,11.43,525
PETRO 21,BP575,,9.3001,575.001
PETRO 22,BP650,,5.88057,649.999
PETRO 23,BP750,,1.39007,750
PETRO 24,BP1100,,-9.51974,1100
$
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=COST, SET=PR01
$
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=1067, PHASE=M, &
COMPOSITION(M,LBM/H)= 1,41760/ 2, 2672/ 3, 4285/ &
4, 7355/ 5, 2467/ 6, 1324/ 7, 156/ 8, 203/ &
9, 398/ 10, 59/ 11, 242/ 12, 31/ 13, 148/ &
14, 57/ 15, 173/ 16, 66/ 17, 38/ 18, 75/ &
19, 137/ 20, 112/ 21, 61/ 22, 87/ 23, 59/ &
24, 157
PROPERTY STREAM=2, TEMPERATURE=300, PHASE=M, &
COMPOSITION(M,LBM/H)= 1, 125/ 2, 1/ 3, 1/ &
4, 11/ 5, 14/ 6, 22/ 7, 2/ 8, 19/ &
9, 36/ 10, 26/ 11, 27/ 13, 38/ 14, 15/ &
15, 43/ 16,18
PROPERTY STREAM=S1, PRESSURE=50, PHASE=V, RATE(WT)=23000, &
COMPOSITION(M)= 1, 100
PROPERTY STREAM=S2, PRESSURE=50, PHASE=V, RATE(WT)=27000, &
PROPERTY STREAM=6, PRESSURE=50, PHASE=V, RATE(WT)=23000, &
COMPOSITION(M,LBM/H)= 1, 45000
NAME 1, REACT EFF / 2, WASH GAS / 3, RAW GAS / &
4, GASOLINE / 5, WATER / 6, GAS OIL RECYCLE / &
7, GAS OIL DRAW / 8, GAS OIL / 9, FUEL OIL
$
OUTPUT FORMAT=1, STREAMS=1,3,4,9 $ Note 2, Note 3
FORMAT IDNO=1, LINE, DRY, NAME, RATE, LINE, CRATE, LINE, CPCT

COLUMN UID=T123, NAME=QUENCH SYS
PARA TRAY=16, SURE=10, FREEWATER
FEED 1, 14/ S2, 16/ 2, 4/ 6, 10/ W1, 1/ W2, 2/ &
W3, 3/ W4, 4, SEPARATE
PROD OVHD=3, 20640, LDRAW=4,4,500, WATER=5,4,600000, &
LDRAW=7,11,325, BTMS=9
DUTY 1,13/ 2,14
PA FROM=14, TO=14, TEMP=365, RATE(LV)=33000
PA FROM=14, TO=13, TEMP=320
PRES 1, 21/ 2,21.6/ 3, 22.3/ 4,22.8/ 5,23 / 16,25
TEMP 1, 105/ 2, 130/ 3, 145 / 4,175 / 5,250/ 13,340/ &
14, 420/ 16, 380
VAPO 1, 20640/ 2, 22000/ 4, 29000/ 5, 73000/ 10, 70000/ &
14, 66000/ 15, 1700/ 16, 1550
SPEC TEMP, TRAY=14, VALUE=420
SPEC RATE(LV), PHASE=L, TRAY=4, VALUE=3000
SPEC STRM=7, RATE(LV), VALUE=155
VARY DUTY=1, DRAW=4, 7
SIDESTRIPPER NAME=GO STRIP, UID=T4

PARA TRAY=2, SURE=10, FREEWATER
FEED 7,1/ S1,2
PROD OVHD=6, BTMS=8,300
PSPEC PTOP=24
ESTI MODEL=CONV
MVC UID=MVC1 $ Note 4

VARY STREAM=W1, RATE
SPEC COLUMN=T123, TEMP, TRAY=1, VALUE=105
MVCPARAMETER CYCLES=15
END
Results
The multivariable controller solves in eight cycles. The temperature
of the primary fractionator ranges from 231 F on the top tray to 420
F on the bottom tray (as specified). The top temperature of the gas
oil stripper is 267 F and the bottom temperature is 246 F, while the
top temperature of the heavy fuel oil stripper is 401 F and the bot-
tom temperature is 370 F. The primary fractionator reflux ratio (gas-
oline reflux rate/gasoline product rate) is 16.96.

Approximately 1650 gpm of water at 175 F is drawn off the water
quench tower (stream 5), excluding quench water. The water flow
rates to the quench tower total approximately 20300 gpm.
Conclusions
The product split from the ethylene plant primary fractionator is:
Raw Gas 186.4 MMSCFD
Gasoline 4240 BPD
Gas Oil 3133 BPD
Heavy Fuel Oil 8517 BPD
Output
above.
Water Quench Tower

Primary Fractionator
UNIT 1, 'T123', 'QUENCH SYS'
SURE METHOD 64
COLUMN SUMMARY

------ ------- -------- -------- -------- --------- --------- ------------
1* 105.0 21.00 48581.0 47464.7W 20531.4V
2* 125.0 21.60 72728.1 21647.7 22404.8W
3* 145.0 22.30 151225.1 23390.0 72614.8W
4* 175.0 22.80 8454.2 29272.1 398.0V 454.9L
419911.1W 605963.9W
5 231.4 23.00 8618.3 72611.0
6 244.6 23.18 8345.1 72775.1
7 252.1 23.36 7959.8 72501.9
8 259.5 23.55 7437.8 72116.6
9 269.1 23.73 6683.0 71594.6
10 283.0 23.91 5666.7 70839.8 1333.6V
11 303.3 24.09 4248.2 68489.8 342.2L
12 327.1 24.27 2735.6 67413.5
13 366.4 24.45 20988.5 65901.0 16223.9P -216.4824

14 420.0 24.64 526.1 67929.9 62122.0V 44764.0P -334.8196
44764.0P 16223.9P
15 401.6 24.82 488.5 1569.5
16 370.3 25.00 1531.9 1498.7V 455.3L
* Trays with free water
UNIT 1, 'T123', 'QUENCH SYS' (continued)

TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED W1 WATER 1 1.0000 47464.69 36.7956
FEED W2 WATER 2 1.0000 22404.78 17.3686
FEED W3 WATER 3 1.0000 72614.85 56.2925
FEED 2 VAPOR 4 0.0000 398.00 9.3076
FEED W4 WATER 4 1.0000 419911.06 325.5236
FEED 6 VAPOR 10 0.0000 1333.62 29.0286
FEED 1 VAPOR 14 0.0000 62122.00 1752.2304
FEED S2 VAPOR 16 0.0000 1498.73 31.7366
PROD 3 VAPOR 1 20531.36 121.4730
PROD 4 LIQUID 4 454.90 3.0101
PROD 5 WATER 4 605963.89 1559.9160
PROD 7 LIQUID 11 342.23 5.8062
PROD 9 LIQUID 16 455.34 16.7828

PUMPAROUNDS

---- ---- ------- ------- ------- ------- ---------- ---------- ----------
14 14 420.0 365.0 1.0000 1.0000 44764.04 12485.073 33000.00
14 13 420.0 320.0 1.0000 1.0000 16223.95 4524.998 11960.28
SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) TRAY LIQ 14 TEMPERATURE 4.200E+02 4.200E+02
2 (ACTIVE) TRAY LIQ 4 LV RATE 3.000E+03 3.000E+03

Gas Oil Stripper Summary
UNIT 2, 'T4', 'GO STRIP'
SURE METHOD 42
COLUMN SUMMARY

------ ------- -------- -------- -------- --------- --------- ------------
1 271.3 24.00 317.9 342.2L 1333.6V
2 249.5 24.00 1309.3 1276.7V 285.3L
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 7 LIQUID 1 1.0000 342.23 5.8062
FEED S1 VAPOR 2 0.0000 1276.69 27.0349
PROD 6 VAPOR 1 1333.63 29.0286
PROD 8 LIQUID 2 285.29 3.8126

User-defined Stream Output

USER DEFINED PROPERTIES SET Nov2008
====================================================================
STREAM ID 1 3 4 9
NAME REACT EFF RAW GAS GASOLINE FUEL OIL
PHASE WET VAPOR WET VAPOR WET LIQUID WET LIQUID
THERMO ID PR01 PR01 PR01 PR01
*** DRY BASIS ***

NAME REACT EFF RAW GAS GASOLINE FUEL OIL
PHASE WET VAPOR WET VAPOR WET LIQUID WET LIQUID
RATE, LB-MOL/HR 20362.0000 19461.2128 449.0484 447.8214

COMP. MOLE RATES,
LB-MOL/HR
1 WATER 0.0000 0.0000 0.0000 0.0000
2 H2 2672.0000 2672.9582 0.0226 9.8389E-10
3 METHANE 4285.0000 4285.6995 0.2698 7.8988E-08
4 ETHENE 7355.0000 7364.4166 1.5306 1.1542E-06
5 PROPENE 2467.0000 2479.1462 1.8361 4.2418E-06
6 1BUTENE 1324.0000 1343.3328 2.6578 1.3484E-05
7 3M1BUTEN 156.0000 157.4179 0.5810 4.6068E-06
8 1HEXENE 203.0000 219.2665 2.7315 5.0494E-05
9 BENZENE 398.0000 422.1443 11.8457 6.6276E-04
10 1HEPTENE 59.0000 82.3570 2.6414 6.2306E-05
11 TOLUENE 242.0000 246.1106 22.8510 2.0818E-03
12 OCTANE 31.0000 27.8923 3.1029 1.4385E-04
13 MXYLENE 148.0000 122.1754 63.6716 5.9819E-03
14 BP316 57.0000 19.6832 52.0888 8.8997E-03
15 BP338 173.0000 17.5759 196.1388 0.0578
16 BP363 66.0000 1.0156 74.6889 0.0572
17 BP388 38.0000 0.0206 12.0413 0.1268
18 BP425 75.0000 2.0541E-05 0.3479 1.4110
19 BP475 137.0000 3.6534E-10 8.6524E-04 19.8307
20 BP525 112.0000 8.9451E-16 3.6994E-07 67.3144
21 BP575 61.0000 2.4330E-22 2.7964E-11 56.2957
22 BP650 87.0000 0.0000 1.6346E-17 86.6726
23 BP750 59.0000 0.0000 4.2669E-27 59.0077
24 BP1100 157.0000 0.0000 0.0000 157.0295
COMP. MOLE PERCENTS

1 WATER 0.0000 0.0000 0.0000 0.0000
2 H2 13.1225 13.7348 5.0300E-03 2.1971E-10
3 METHANE 21.0441 22.0217 0.0601 1.7638E-08
4 ETHENE 36.1212 37.8415 0.3409 2.5774E-07
5 PROPENE 12.1157 12.7389 0.4089 9.4721E-07
6 1BUTENE 6.5023 6.9026 0.5919 3.0110E-06
7 3M1BUTEN 0.7661 0.8089 0.1294 1.0287E-06
8 1HEXENE 0.9970 1.1267 0.6083 1.1275E-05
9 BENZENE 1.9546 2.1692 2.6379 1.4800E-04
10 1HEPTENE 0.2898 0.4232 0.5882 1.3913E-05
11 TOLUENE 1.1885 1.2646 5.0888 4.6486E-04
12 OCTANE 0.1522 0.1433 0.6910 3.2122E-05
13 MXYLENE 0.7268 0.6278 14.1792 1.3358E-03
14 BP316 0.2799 0.1011 11.5998 1.9873E-03
15 BP338 0.8496 0.0903 43.6788 0.0129
16 BP363 0.3241 5.2188E-03 16.6327 0.0128
17 BP388 0.1866 1.0584E-04 2.6815 0.0283
18 BP425 0.3683 1.0555E-07 0.0775 0.3151
19 BP475 0.6728 1.8773E-12 1.9268E-04 4.4283
20 BP525 0.5500 4.5964E-18 8.2382E-08 15.0315
21 BP575 0.2996 1.2502E-24 6.2274E-12 12.5710
22 BP650 0.4273 0.0000 3.6402E-18 19.3543
23 BP750 0.2898 0.0000 9.5021E-28 13.1766
24 BP1100 0.7710 0.0000 0.0000 35.0652
Multivariable Controller
UNIT 3, 'MVC1'
BEST CYCLE = 7
VARIABLE SPECIFIED CALCULATED RELATIVE RELATIVE
VALUE VALUE VALUE TOLERANCE ERROR
------------ ------------ ------------ ------------ ------------
1 4.74647E+04 1.05000E+02 1.04969E+02 9.52381E-04 -2.99917E-04
2 2.24048E+04 1.25000E+02 1.24976E+02 8.00000E-04 -1.93320E-04
3 7.26148E+04 1.45000E+02 1.44990E+02 6.89655E-04 -6.59429E-05
4 4.19911E+05 1.75000E+02 1.74995E+02 5.71429E-04 -2.77060E-05
CONVERGENCE HISTORY
CYCLE 1 CYCLE 2 CYCLE 3 CYCLE 4 CYCLE 5
----------- ----------- ----------- ----------- -----------
VARY 1 4.5000E+04 4.9500E+04 4.5000E+04 4.5000E+04 4.5000E+04
VARY 2 2.2000E+04 2.2000E+04 2.4200E+04 2.4200E+04 2.4200E+04
VARY 3 7.8000E+04 7.8000E+04 7.8000E+04 8.5800E+04 7.8000E+04
VARY 4 4.1300E+05 4.1300E+05 4.1300E+05 4.1300E+05 4.5430E+05
SPEC 1 1.0618E+02 1.0265E+02 1.0465E+02 1.0117E+02 9.7001E+01
REL ERR 1.13E-02 -2.24E-02 -3.31E-03 -3.65E-02 -7.62E-02
SPEC 2 1.2564E+02 1.2272E+02 1.2380E+02 1.1945E+02 1.1395E+02
REL ERR 5.09E-03 -1.82E-02 -9.64E-03 -4.44E-02 -8.84E-02
SPEC 3 1.4487E+02 1.4331E+02 1.4400E+02 1.4003E+02 1.3474E+02
REL ERR -8.98E-04 -1.16E-02 -6.92E-03 -3.43E-02 -7.08E-02
SPEC 4 1.7563E+02 1.7511E+02 1.7536E+02 1.7431E+02 1.6946E+02
REL ERR 3.57E-03 6.54E-04 2.08E-03 -3.96E-03 -3.16E-02
SUM SQ ERR 1.6658E-04 9.6785E-04 1.5613E-04 4.4945E-03 1.9619E-02
CYCLE 6 CYCLE 7
----------- -----------
VARY 1 4.7072E+04 4.7465E+04
VARY 2 2.2701E+04 2.2405E+04
VARY 3 7.3668E+04 7.2615E+04
VARY 4 4.1806E+05 4.1991E+05
SPEC 1 1.0499E+02 1.0497E+02
REL ERR -8.59E-05 -3.00E-04
SPEC 2 1.2487E+02 1.2498E+02
REL ERR -1.04E-03 -1.93E-04
SPEC 3 1.4491E+02 1.4499E+02
REL ERR -6.53E-04 -6.59E-05
SPEC 4 1.7514E+02 1.7500E+02
REL ERR 7.88E-04 -2.77E-05
SUM SQ ERR 2.1282E-06 1.3244E-07

STREAM TBP/ASTM CURVES - DEG F Nov2008
STREAM ID 1 2 3 4
NAME REACT EFF WASH GAS RAW GAS GASOLINE
PHASE WET VAPOR WET VAPOR WET VAPOR WET LIQUID
TBP AT 760 MM HG
1 LV PERCENT -422.968 -220.746 -422.968 47.070
5 -362.930 -89.711 -373.345 213.408
10 -261.871 -1.410 -282.695 261.501
30 -190.568 180.372 -201.225 316.800
50 -122.040 233.803 -139.765 332.489
70 -53.360 310.391 -78.526 348.426
90 338.498 350.796 45.876 367.524
95 613.351 360.684 172.580 379.670
98 1100.000 366.376 237.421 386.958
TBP AT 10 MM HG
1 LV PERCENT -434.504 -292.769 -434.504 -96.663
5 -392.972 -198.053 -400.210 30.250
10 -322.022 -132.900 -336.751 67.709
30 -271.161 4.720 -278.805 111.215
50 -221.638 46.093 -234.507 123.645
70 -171.362 106.149 -189.860 136.309
90 128.415 138.196 -97.560 151.538
95 352.785 146.077 -1.278 161.253
98 782.047 150.621 48.910 167.093
1 LV PERCENT -375.348 -235.425 -361.207 -23.879
5 -313.411 -69.713 -314.484 220.521
10 -209.154 41.955 -229.130 291.184
30 -167.166 196.994 -178.555 320.631
50 -118.038 232.999 -135.671 328.426
70 -61.963 297.044 -86.915 337.868
90 561.472 327.795 49.469 349.264
95 617.531 338.111 98.648 360.831
98 716.787 344.049 123.816 367.771
1 LV PERCENT -375.348 -235.425 -361.207 -23.879
5 -313.411 -69.713 -314.484 220.521
10 -209.154 41.955 -229.130 291.184
30 -167.166 196.994 -178.555 320.631
50 -118.038 232.999 -135.671 328.426
70 -61.963 297.044 -86.915 337.868
90 551.017 327.795 49.469 349.264
95 599.749 338.111 98.648 360.831
98 675.996 344.049 123.816 367.771

STREAM ID 1 2 3 4
NAME REACT EFF WASH GAS RAW GAS GASOLINE
PHASE WET VAPOR WET VAPOR WET VAPOR WET LIQUID
1 LV PERCENT -361.728 -218.248 -355.130 8.227
5 -316.776 -80.743 -322.162 214.566
10 -240.835 11.823 -261.680 273.932
30 -180.230 189.238 -191.358 320.242
50 -122.040 233.803 -139.765 332.489
70 -53.360 310.391 -78.526 348.426
90 338.498 350.796 45.876 367.524
95 613.351 360.684 172.580 379.670
98 1100.000 366.376 237.421 386.958
1 LV PERCENT -392.136 -290.985 -387.543 -125.723
5 -360.733 -191.485 -364.509 31.148
10 -307.087 -123.042 -321.887 77.449
30 -263.730 11.556 -271.727 113.939
50 -221.638 46.093 -234.507 123.645
70 -171.362 106.149 -189.860 136.309
90 128.415 138.196 -97.560 151.538
95 352.785 146.077 -1.278 161.253
98 782.047 150.621 48.910 167.093
1 WT PERCENT -409.330 -148.531 -413.154 -4.175
5 -354.756 -24.492 -366.550 184.824
10 -262.894 59.095 -281.414 239.469
30 -189.590 175.457 -203.122 304.127
50 -122.040 233.803 -139.765 332.489
70 -56.472 304.689 -79.362 355.542
90 189.966 347.256 22.160 379.394
95 833.987 361.497 287.227 397.421
98 940.744 372.700 325.667 410.119
TBP AT 760 MM HG
1 WT PERCENT -400.409 -137.552 -409.457 150.600
5 -262.422 -2.895 -307.654 225.548
10 -229.909 92.153 -245.345 265.840
30 -118.176 195.876 -158.622 318.210
50 -6.288 261.659 -83.535 333.598
70 252.475 321.034 3.530 349.177
90 764.787 353.815 188.578 368.470
95 1075.892 362.231 237.950 380.164
98 1256.452 366.934 280.837 387.180

STREAM ID 6 7 8 9
NAME GAS OIL GAS OIL DRAW GAS OIL FUEL OIL
RECYCLE
TBP AT 760 MM HG
1 LV PERCENT 47.710 319.952 347.307 454.993
5 317.202 365.792 377.772 501.921
10 345.007 383.721 394.601 535.977
30 384.801 426.302 434.680 652.203
50 412.786 456.395 463.689 822.489
70 445.783 488.609 494.623 1046.474
90 492.143 524.258 530.604 1220.205
95 512.108 551.728 555.809 1259.692
98 524.087 569.222 570.932 1283.385
TBP AT 10 MM HG
1 LV PERCENT -96.182 113.710 135.419 222.021
5 111.533 150.155 159.734 260.342
10 133.589 164.498 173.228 288.377
30 165.364 198.768 205.545 385.505
50 187.859 223.161 229.096 532.000
70 214.542 249.436 254.360 732.682
90 252.329 278.708 283.942 894.971
95 268.709 301.408 304.791 932.704
98 278.568 315.929 317.351 955.498
1 LV PERCENT -184.308 367.577 393.636 497.735
5 318.945 397.507 409.733 532.647
10 370.870 409.213 418.624 557.983
30 389.473 429.660 437.414 641.027
50 405.528 447.239 454.206 794.138
70 428.465 469.514 475.406 1031.182
90 465.359 495.565 501.779 1243.452
95 480.961 514.212 519.732 1266.978
98 490.322 526.088 530.504 1281.094
1 LV PERCENT -184.308 367.577 393.636 492.224
5 318.945 397.507 409.733 524.792
10 370.870 409.213 418.624 547.879
30 389.473 429.660 437.414 619.087
50 405.528 447.239 454.206 724.760
70 428.465 469.514 475.406 824.831
90 465.359 490.175 496.035 877.075
95 476.327 507.691 512.835 881.747
98 485.216 518.734 522.816 884.524

STREAM ID 6 7 8 9
NAME GAS OIL GAS OIL DRAW GAS OIL FUEL OIL
RECYCLE
1 LV PERCENT -67.320 361.431 382.917 497.766
5 318.633 387.214 398.888 525.690
10 357.974 397.326 407.730 546.021
30 390.421 432.240 440.450 655.027
50 412.786 456.395 463.689 822.489
70 445.783 488.609 494.623 1046.474
90 492.143 524.258 530.604 1220.205
95 512.108 551.728 555.809 1259.692
98 524.087 569.222 570.932 1283.385
1 LV PERCENT -181.635 146.673 163.854 256.936
5 112.666 167.299 176.672 279.889
10 143.915 175.416 183.786 296.681
30 169.872 203.570 210.218 387.893
50 187.859 223.161 229.096 532.000
70 214.542 249.436 254.360 732.682
90 252.329 278.708 283.942 894.971
95 268.709 301.408 304.791 932.704
98 278.568 315.929 317.351 955.498
1 WT PERCENT -80.306 260.485 294.134 511.680
5 280.703 330.547 341.592 570.828
10 317.951 357.950 367.808 613.753
30 372.914 414.781 422.964 707.058
50 412.786 456.395 463.689 822.489
70 451.591 494.539 500.742 975.265
90 498.931 533.179 539.660 1106.689
95 530.798 579.123 581.288 1176.335
98 547.133 598.914 599.670 1199.414
TBP AT 760 MM HG
1 WT PERCENT 178.012 325.327 347.852 459.779
5 324.794 366.741 378.207 506.618
10 348.268 384.822 394.911 541.798
30 386.286 426.911 435.096 670.718
50 413.815 457.112 464.299 851.689
70 446.721 489.440 495.303 1065.813
90 493.074 524.856 532.169 1223.103
95 512.683 552.763 556.643 1259.726
98 524.449 569.697 571.328 1281.699


P4 - Cyclohexane Plant
A plant to produce cyclohexane by the hydrogenation of benzene
has been designed. To obtain good heat control, three reactors are
used in series. The process has a large recycle of unreacted hydro-
gen, a small quantity being purged to control the buildup of inerts in
the system. The recycle is typically five times the fresh hydrogen
feed to the process, and so it plays a major part in the costs of oper-
ating the process.
The simulation calculates the recycle rate in order to size the com-
pressor and the associated pipework. It also computes the vent rate
to ensure that the flare header can handle it.
ProcessData
The process flow sheet is shown in Figure P4-4-1.
Figure P4-1: Cyclohexane Process Flowsheet
The feed conditions are shown in Table P4-4-1. The feed and recy-
cle stream compositions are listed in Table P4-4-2.
P4 - Cyclohexane Plant Petrochemicals 3-31

Table P4-1: Stream Conditions

Stream Rate Temp, F Pres, psig
Benzene to RX-1, bbl per hr 48.4 100 540
Make-up hydrogen, MSCFper hr 540.0 100 540
Recycle cyclohexane estimate, 225.0 120 615

bbl per hr
Recycle hydrogen estimate, 300.0 150 484

bbl per hr
Cooling water -- 60 --
Steam -- -- 300
Table P4-2: Feed and Recycle Stream Compositions (mole %)

Benzene Make-up Recycle Recycle
Component Feed Hydrogen Hydrogen Cyclohexane
Hydrogen -- 97.25 90.0 0.5
Methane -- 2.75 8.0 1.5
Benzene 100 -- -- --
Cyclohexane -- -- 2.0 98.0
The total hydrogen feed to the reactor section is 7772.5 lb moles/hr.

Sixty-five percent by volume of the liquid from separator D-1 is
recycled back to the reactors. The remainder is the liquid product.
Forty percent by volume of the recycled liquid is fed to reactor RX-
1, with the rest to RX-2.
3-32 Petrochemicals P4 - Cyclohexane Plant

The known operating temperatures and pressures in the process are
listed in Table P4-4-3.
Table P4-3: Process Operating Conditions
Unit Temp, F Pres, psig Pres Drop, psi
E-1 hot outlet 320 -- 5
E-1 cold outlet -- -- 5
E-2 outlet 295 -- 5
E-3 outlet 120 -- 5
RX-1 outlet 485 -- 10
RX-2 outlet 450 -- 10
RX-3 outlet 410 -- 10
RC-1 outlet -- 484 --
P-1 outlet -- 615 --
D-1 outlet -- -- 31
Exchanger E-1 has 1 shell pass and 2 tubeside passes with an over-
all heat transfer coefficient of 110 BTU/hr -ft2-F.
The reaction stoichiometry for all three reactors is:
C6H6 + 3H2 <=> C6H12 (P4-2)
and the heat of reaction at 77 F is -87000 Btu/lb mole benzene. The
conversions are shown in Table P4-4-4.
Table P4-4: Reactor Conversions
Reactor Conversion, %
RX-1 90
RX-2 67
RX-3 97
Methods and Data

The Grayson-Streed (GS) system is specified for the thermody-
namic calculations. The GS correlation is an extension of the Chao-
Seader K-value method, using experimental data to improve its
applicability to hydrogen and methane systems. This correlation is
especially suitable for the simulation of hydrogen rich streams, such
as hydrotreaters and reformers.

Curl-Pitzer enthalpies are used with SRK vapor densities. Liquid
densities are computed using the API method, which provides good
results for hydrocarbon streams containing hydrogen.
Simulation Model
The simulation model flow sheet shown in Figure P4-4-3 differs
from the actual process flow diagram in Figure P4-4-1 due to the
addition of mixer and splitter units.
Figure P4-3: Simulation Flow Diagram for Cyclohexane Plant.
Mixers are needed to combine the feed and the recycle streams to
reactor RX-1 and the reactor RX-2, effluent with the benzene feed
to reactor RX-3.
Splitter units have been added to control splitting of both the cyclo-
hexane and hydrogen rich products from the separator D-1 and the
cyclohexane recycles to reactors RX-1 and RX-2.
The required amount of hydrogen entering the first reactor is
known, and it is set by a controller which adjusts the rate of the
recycle hydrogen stream.

The purge from the hydrogen recycle is calculated with a stream
calculator (STCALC) unit and set by splitter S3. The hydrogen in
the purge is calculated as the difference between the amounts in the
feed and main product, less the hydrogen consumed in the reactors.
Eliminating recycles is always good practice as it minimizes the
calculation time. The loop from the mixer M2 to exchanger E1 is
eliminated by referencing stream 7 to stream 5 and calculating units
E1 and E2 after the mixer M2. The SEQUENCE statement is used
to reorder the unit operations and start the calculation at the cyclo-
hexane recycle splitter, S2. This reduces the recycle loops to four:
1. recycle hydrogen (stream 23)
2. recycle cyclohexane (stream 18)
3. reactor RX-1 feed (stream 7)
4. cyclohexane product (stream 17)
Stream 17, the main product, is treated as a recycle stream because
it is used in the STCALC unit to calculate the hydrogen purge rate.
PRO/II has the Wegstein convergence acceleration method for use
with simulations which have large recycle streams.
Two mixer units (not shown in Figure P4.2) are used to sum up the
total feed and product streams for the plant. Because of the reac-
tions, there will not be a molar balance, but the total weight flows in
and out must be equal.
Input Data
English units are used except that LIQVOL=BBL changes the default
liquid volume units of ft3 to barrels. The default pressure units are
also changed from psia to psig.
By default, the recycles are converged when no component changes
by more than the tolerance of 1% between trials. When the recycle
is largely made up of one component, as in the hydrogen recycle, a
tighter tolerance is required to ensure that components present in
small amounts converge correctly. This example uses the TOLER-
ANCE statement in the General Data section of keyword input to
tighten the stream component tolerance to 0.3%.
The STCALC unit calculates the hydrogen in the purge by difference
from the feeds and products and the amount consumed in the reac-
tors. The FEED statement specifies the stream labels with the factors
to apply to each stream rate. Streams with a factor of unity (+1.0)
are added; those with a factor of (-1.0) are subtracted. The unit sub-
tracts the product (stream 17) from the feed (stream 4). The hydro-
gen consumed in the reactors is the difference between reactor
product stream 12 and feed streams 7 and 19.
Finally, all components except hydrogen are removed from the
stream calculator product stream, XSH2. This is accomplished by
using a factor of zero on the FOVHD statement. Stream XSH2, cre-
ated by the stream calculator, contains the rate of excess hydrogen
which must be purged. The purge stream is set by splitter S3 by ref-
erence to stream XSH2.
The lower limit (WEGL) for the Wegstein recycle acceleration is set
to -100, rather than the default of -5. For stable systems, this speeds
the convergence considerably; but could lead to oscillation and
instability for some applications.
Input Data File

TITLE PROB=P4, PROJ=APPBRIEFS, USER=SIMSCI, DATE=Nov_2008
DESC -- Application Briefs Input File --
DESC - Simulation of a three-reactor cyclohexane plant
DESC -
$
DIMENSION PRES=PSIG, LIQV=BBL
TOLERANCE STREAM=0.003
SEQUENCE SIMSCI
PRINT INPUT=ALL
$
COMPONENT DATA
LIBID 1,HYDROGEN/ 2,METHANE/ 3,BENZENE/ 4,CH, &
BANK= SIMSCI, PROCESS
THERMO DATA
METHODS SYSTEM=GS
STREAM DATA
PROP STREAM=1, TEMP=100, PRES=540, PHASE=L, &
COMP=3, 100, RATE(LV)=48.4
COMP=3, 100, RATE(LV)=32.1
COMP=3,100, RATE(LV)=13
PROP STREAM=4, TEMP=100, PRES=540, PHASE=V, &
RATE(GV)=.54E6, COMP=97.25/ 2.75
PROP STREAM=23, TEMP=150, PRES=484, PHASE=V, &
RATE(GV)=3E6, COMP=90/ 8/ 4,2
RATE(LV)=225, COMP=.5/ 1.5/ 4,98

PROP STREAM=7, TEMP=295, PRES=474, REFSTREAM=5
PROP STREAM=7S, TEMP=295, PRES=474, REFSTREAM=5
PROP STREAM=1R, REFSTREAM=1
PROP STREAM=4S, REFSTREAM=4
NAME 1,A6-RX1/ 2,A6-RX2/ 3,A6-RX3/ 4,H2 FEED/ &
17, CYCLOHEXANE/ 18,RC CYCLO /23,RC HYDROGEN/ &
21, VENT GAS
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3/3,-1/4,1
UNIT OPERS DATA
MIXER UID=M1,NAME=FD MIX
FEED 1,4,20,23
PROD M=5
CONT UID=CON1,NAME=RECYCLE RATE
SPEC STREAM=5,COMP=1,RATE,VALUE=7772.5,ATOL=.1
VARY STREAM=23,RATE
HX UID=E1,NAME=FD-EFFL
HOT FEED=10,L=11,DP=5
COLD FEED=5,L=6,DP=5
OPER HTEMP=320
CONFIG TPASS=6,SPASS=1,U=110
HX UID=E2,NAME=FD HEATER
COLD FEED=6,M=7,DP=5
OPER CTEMP=295
UTILITY STEAM,PSAT=300
CONREACTOR UID=RX1,NAME=CONREACTOR 1
FEED 7
PROD V=8
OPER PHASE=V,DP=10,TEMP=485
RXCALC REFPHASE=V,REFTEMP=77
RXSTOIC RXSET=1
REACTION 1
CONV 0.90
BASE COMPONENT=3,HEAT=-87
FEED 2,8,19
PROD V=9

RXSTOIC RXSET=1
REACTION 1
CONV 0.67
MIXER UID=M2,NAME=RX 3 FD
FEED 9,3
PROD M=10
FEED 11
PROD V=12
RXSTOIC RXSET=1
REACTION 1
CONV 0.97
HX UID=E3,NAME=COOLER
OPER HTEMP=120
UTILITY WATER,TIN=60,TEMP=120
FLASH UID=D1,NAME=SEPARATOR
FEED 13
PROD V=14,L=15
ADIA DP=31
SPLITTER UID=S1,NAME=CH SPLIT

FEED 15
PROD L=16,L=17
SPEC STREAM=16,RATE(LV),RATIO,STREAM=15,RATE(LV),VALUE=.65
PUMP UID=P1,NAME=PUMP
FEED 16
PROD L=18
OPER PRES=615
SPLITTER UID=S2,NAME=CH SPLIT

FEED 18
PROD L=19,L=20
SPEC STREAM=20,RATE(LV),RATIO,STREAM=16,RATE(LV),VALUE=0.4
STCALC UID=BLD1
FEED 4S,1/12S,1/7S,-1/17S,-1/19S,-1
OVHD STREAM=XSH2
BTMS STREAM=DUM1
FOVHD 1,1.0/2,4,0.0

SPLITTER UID=S3,NAME=H2 VENT
FEED 14
PROD V=21,V=22
SPEC STREAM=21, COMP=1, RATE, RATIO, &
STREAM=XSH2, COMP=1, RATE, VALUE=1
COMPRESS UID=RC1,NAME=REC COMP
FEED 22
PROD V=23
OPER PRES=484,EFF=75,CALC=GPSA
MIXER UID=FEED,NAME=TOTAL FEED
FEED 1R,4R,2R,3R
PROD M=31
MIXER UID=PROD,NAME=TOTAL PROD
FEED 17,21
PROD M=32
RECYCLE DATA
ACCE TYPE=WEGS,WEGL=-100,START=3
END Results
Results
The recycle converges with a hydrogen recycle rate of 7322 lb
mole/hr. This compares with a hydrogen feed to the process of 1423
lb mole/hr. The vent gas rate is 308 lb mole/hr.
The work required by the recycle compressor to increase the pres-
sure by 86 psi is 882HP.
The flowsheet does not solve using the default substitution conver-
gence method, but does solve using Wegstein acceleration. With the
default value for WEGL, 20 trials are required. Reducing WEGL to (-
100) brings this down to 14 trials.
Output
PRO/II establishes the number of recycles and identifies the recycle
streams. These are shown in the Calculation Sequence and Recycle
report.
The compressor details were required and so the output is shown.
The reactor results are also presented.
The final page of the stream summary shows the total feed (31) and
product (32). The mass flow rates are the same within the recycle
tolerance. The format of the following output results has been
edited slightly to better fit the aspect ratio of this guide.

Calculation Sequence
SEQ UNIT ID UNIT TYPE SEQ UNIT ID UNIT TYPE
--- ------------ ---------- --- ------------ ----------
1 FEED MIXER 10 D1 FLASH
2 M1 MIXER 11 S1 SPLITTER
3 CON1 CONTROLLER 12 P1 PUMP
4 RX1 CONV REAC 13 S2 SPLITTER
5 RX2 CONV REAC 14 BLD1 STRM CALC
6 M2 MIXER 15 S3 SPLITTER
7 E1 HX 16 RC1 COMPRESSOR
8 RX3 CONV REAC 17 E2 HX
9 E3 HX 18 PROD MIXER
Recycle Loops
--------------- LOOPS ----------- ------- TEAR STREAMS -------
ID FIRST UNIT LAST UNIT ID FROM UNIT TO UNIT
---------- ---------- ----------- -------- ---------- --------
LOOP1 M1 E2 19 S2 RX2
20 S2 M1
23 RC1 M1
7 E2 RX1

Compressor Output
UNIT 16, 'RC1', 'REC COMP'
Feeds 22
Products Vapor 23
OPERATING CONDITIONS INLET ISENTROPIC OUTLET

----------- ----------- -----------
TEMPERATURE, F 119.29 150.28 160.44
PRESSURE, PSIG 398.00 484.00 484.00
CP, BTU/LB-MOL-F 7.4747 7.5545
CV, BTU/LB-MOL-F 5.4100 5.4825
CP/(CP-R) 1.3618 1.3566
CP/CV 1.3816 1.3779
HEAD, FT
ADIABATIC 36948.10
POLYTROPIC 37841.63
ACTUAL 49264.13
WORK, HP
THEORETICAL 659.71
POLYTROPIC 675.66
ACTUAL 879.61
CALCULATED FROM TEMPERATURE EQUATION

Reactor Results
UNIT 5, 'RX1', 'CONREACTOR 1'
REACTOR TYPE ISOTHERMAL REACTOR
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -15.3686
INLET OUTLET
----------- -----------
FEED 7
VAPOR PRODUCT 8
PRESSURE, PSIG 474.0000 464.0000
REACTION DATA --------- RATES, LB-MOL/HR ---------- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
------------------ ----------- ----------- ----------- -----------
1 HYDROGEN 7772.5001 -520.1376 7252.3624 0.0669
2 METHANE 843.9029 0.0000 843.9029
3 BENZENE 192.6436 -173.3792 19.2644 0.9000
4 CH 384.7966 173.3792 558.1758
TOTAL 9193.8431 -520.1376 8673.7055
LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------ ----------- ----------- ------------
3 BENZENE 1 173.3792 0.9000
(1) FRACTION CONVERTED BASED ON AMOUNT IN FEED
REACTOR MASS BALANCE ----------- Rates, LB/HR ------------ Fraction

Component Feed Change Product Converted
-------------------- ----------- ----------- ----------- -----------
1 HYDROGEN 15668.4283 -1048.5351 14619.8932 0.0669
2 METHANE 13538.5319 0.0000 13538.5319
3 BENZENE 15048.0905 -13543.2814 1504.8090 0.9000
4 CH 32384.9731 14591.8161 46976.7892
TOTAL 76640.0237 0.0000 76640.0233

INLET OUTLET
----------- -----------
FEED 2
8
19
VAPOR PRODUCT 9
PRESSURE, PSIG 464.0000 454.0000

------------------ ----------- ----------- ----------- -----------
1 HYDROGEN 7259.0558 -296.2467 6962.8091 0.0408
2 METHANE 849.8042 0.0000 849.8042
3 BENZENE 147.3864 -98.7489 48.6375 0.6700
4 CH 964.2982 98.7489 1063.0471
TOTAL 9220.5447 -296.2467 8924.2980
LB-MOL/HR FRACTION
------------------ ----------- ----------- ------------
3 BENZENE 1 98.7489 0.6700

-------------------- ----------- ----------- ----------- -----------
1 HYDROGEN 14633.3862 -597.1978 14036.1884 0.0408
2 METHANE 13633.2055 0.0000 13633.2055
3 BENZENE 11512.8889 -7713.6355 3799.2533 0.6700
4 CH 81156.5720 8310.8331 89467.4051
TOTAL 120936.0526 0.0000 120936.0524


INLET OUTLET
----------- -----------
FEED 11
VAPOR PRODUCT 12
PRESSURE, PSIG 449.0000 434.0000

------------------ ----------- ----------- ----------- -----------
1 HYDROGEN 6962.8091 -291.3072 6671.5020 0.0418
2 METHANE 849.8042 0.0000 849.8042
3 BENZENE 100.1056 -97.1024 3.0032 0.9700
4 CH 1063.0471 97.1024 1160.1495
TOTAL 8975.7660 -291.3072 8684.4589
LB-MOL/HR FRACTION
------------------ ----------- ----------- ------------
3 BENZENE 1 97.1024 0.9700

-------------------- ----------- ----------- ----------- -----------
1 HYDROGEN 14036.1884 -587.2403 13448.9481 0.0418
2 METHANE 13633.2055 0.0000 13633.2055
3 BENZENE 7819.6093 -7585.0210 234.5883 0.9700
4 CH 89467.4051 8172.2611 97639.6662
TOTAL 124956.4084 0.0000 124956.4081

Stream Summary
STREAM ID 22 23 31 32
NAME RC HYDROGEN
PHASE VAPOR VAPOR MIXED MIXED
THERMO ID GS01 GS01 GS01 GS01

RATE, LB-MOL/HR 7299.351 7299.351 1793.161 685.562
M LB/HR 35.341 35.341 32.333 32.338
TEMPERATURE, F 119.291 160.441 91.779 119.291
PRESSURE, PSIG 398.000 484.000 540.000 398.000
BTU/LB 177.064 240.393 44.784 49.618
PRES (KAYS RULE) 1.6574 2.0028 1.7999 0.9509
ACENTRIC FACTOR -0.1844 -0.1844 -0.1231 0.0268
WATSON K (UOPK) 27.225 27.225 13.146 11.782
API GRAVITY 818.712 818.712 193.780 86.358
-------- VAPOR ---------

RATE, LB-MOL/HR 7299.351 7299.351 1427.008 308.884
M LB/HR 35.341 35.341 4.169 1.496
M FT3/HR 111.155 98.799 15.519 4.704
STD VAP RATE(1), M FT3/HR 2769.983 2769.983 541.526 117.216
SPECIFIC GRAVITY (AIR=1.0) 0.167 0.167 0.101 0.167
ENTHALPY, BTU/LB 177.064 240.393 133.082 177.064
CP, BTU/LB-F 1.544 1.560 2.409 1.544
DENSITY, LB/M FT3 317.941 357.701 268.661 317.941
Z (FROM DENSITY) 1.0115 1.0143 1.0193 1.0115
TH COND, BTU/HR-FT-F 0.08768 0.09269 0.09855 0.08768
VISCOSITY, CP 0.00986 0.01037 0.00919 0.00986
KINEMATIC VISCOSITY, CSTOK 1.9354 1.8104 2.1345 1.9354

Stream Summary (continued)

STREAM ID 22 23 31 32
NAME RC HYDROGEN
-------- LIQUID --------

RATE, LB-MOL/HR N/A N/A 366.153 376.678
M LB/HR N/A N/A 28.164 30.842
BBL/HR N/A N/A 92.994 117.575
GAL/MIN N/A N/A 65.095 82.302
STD LIQ RATE, BBL/HR N/A N/A 91.550 113.506
SPECIFIC GRAVITY (H2O=1.0) N/A N/A 0.8786 0.7760
MOLECULAR WEIGHT N/A N/A 76.918 81.879
ENTHALPY, BTU/LB N/A N/A 31.713 43.439
CP, BTU/LB-F N/A N/A 0.384 0.446
DENSITY, LB/BBL N/A N/A 302.858 262.319
Z (FROM DENSITY) N/A N/A 0.1337 0.1164
SURFACE TENSION, DYNE/CM N/A N/A 26.6822 21.1568
THERMAL COND, BTU/HR-FT-F N/A N/A 0.08171 0.06787
VISCOSITY, CP N/A N/A 0.51592 0.56734
KINEMATIC VISCOSITY, CSTOK N/A N/A 0.5971 0.7581

P5 - Naphthalene Recovery
A three column distillation scheme to produce a 97% by weight
pure naphtalene stream has been proposed. The first column
removes anthracene as the bottoms product, and 1,2,4 methyl ben-
zene is separated out as the overhead in the second. A small loss of
naphthalene is allowed in this column. The final column produces
high purity naphthalene. The purpose of this simulation is to design
the columns to meet the product purity specifications.
ProcessData
The flowsheet is shown in Figure P5-1.
Figure P5-1: Naphthalene Recovery Flow Diagram
All the columns operate at 780 psia with condensers at 760 psia.
The feed composition is shown in Table P5-1, and the required
product recoveries and purities are listed in Table P5-2.
P5 - Naphthalene Recovery Petrochemicals 3-47

Table P5-1: Feed Stream Information

Component kg/hr Component kg/hr
124-Methyl Benzene 376.0 Diphenyl 62.3
Indene 101.0 23-Dimethyl Naph 78.9
m-Cresol 5.5 2-Mnaphth 55.9
24-Xylnol 9.6 Acet Naph 72.1
Dodecane 13.2 DiBenzoF 90.6
23-Xylnol 5.1 Fluorene 110.5
Naphthalene 2266.0 Anthracene 213.0
Pressure, psia 780.0
Table P5-2: Column Specifications

Column Specifications
First Column 99.3% recovery of Naphthelene in the overhead
99.5% recovery of Nnthracene in the bottoms
Second Column 1% loss of 1,2,4 Methyl Benzene in the bottoms
15% weight purity of Naphthalene in the overhead
Third Column 97% weight purity of Naphthelene in the overhead
0.25% loss of Naphthelene in the bottoms
Methods and Data

Not all of the required components are available in the SimSci Data
Library. However, the molecular weights, gravities, and boiling
points of the missing components are known and are entered using
the PETRO option. PRO/II uses this information to estimate all the
other properties required in the simulation.
Grayson-Streed K-values are recommended for applications with
this type of component. Lee-Kesler is used for enthalpies and densi-
ties.
3-48 Petrochemicals P5 - Naphthalene Recovery

SimulationModel
The first step is to establish the number of stages and the feed tray
locations using shortcut models for the columns. The shortcut
colums use the Fenske method to calculate the minimum trays at
total reflux for the specified products.
Input Data (Shortcut)

Metric units are defined with the pressure changed to millimeters of
mercury (mmHg) from the default of kg/cm2. The default for the
gravity of the PETRO components is kg/m3 in metric units. The
XDEN=SPGR entry indicates to PRO/II that specific gravity data are
supplied instead.
The shortcut models are defined as conventional columns with par-
tial condensers. The light and heavy key components are specified
for the feed tray and reflux ratio calculations for each shortcut col-
umn.
The specifications are the purities and recoveries listed in Table P5-
2 above.
Input Data File (Shortcut)

TITLE PROBLEM=P5S, PROJECT=AppBriefs, &
USER=SIMSCI, DATE=Nov_2008
DESC Naphthelene Separation (Shortcut Separation)
DIME METRIC, PRES=MMHG, XDEN=SPGR
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1, 124MBENZ/ 2, INDENE/ 3, MCRESOL/ &
4, 24XYLNOL/ 5, DODECANE/ 6, 23XYLNOL/ &
7, NAPHTHLN/ 10, 2MNAPHTH/ 14, ANTHRCEN, &
PETRO 8, DIPHENYL, 154.2, 1.0076, 254.6 /&
9, 23DIMHAPH, 156.2, 1.0407, 268.0 /&
11, ACENAPH, 154.2, 1.0930, 279.8 /&
12, DIBENZOF, 168.2, 0.9947, 274.6 /&
13, FLUORENE, 166.2, 1.0762, 297.33
THERMODYNAMIC DATA
METHODS KVALUE=GS,ENTHALPY=LK,DENSITY(L)=LK,DENS(V)=SRK
STREAM DATA
PROP STREAM=F100,TEMP=100,PRES=780,&
COMP(W)=376/ 101/ 5.5/ 9.6/ 13.2/ &
5.1/ 2266/ 62.3/ 78.9/ 55.9/ &
72.1/ 90.6/110.5/ 213
UNIT OPERATIONS

SHORT UID=SC1
FEED F100
COND TYPE=PARTIAL
PROD STREAM=2, PRES=760, PHASE=V, RATE=25
PROD STREAM=3, PRES=780, PHASE=L
EVAL MODEL=CONV, KEYL=7, KEYH=14
SPEC STREAM=2,RATE,COMP=7,RATIO,REFFEED,VALUE=0.993
SHORT UID=SC2
FEED 2
COND TYPE=PARTIAL
SPEC STREAM=5,COMP=1,RATE,RATIO,REFFEED,VALUE=0.01
SPEC STREAM=4,COMP=7,FRAC(W),VALUE=0.15
SHORT UID=SC3
FEED 5
COND TYPE=PARTIAL
END
Output (Shortcut)
Selected results are shown for each shortcut column. Feed tray loca-
tion, number of theoretical stages, reflux ratios, condenser and
reboiler duties have been calculated for a variety of operating
points. The number of trays used in the rigorous model will be
twice the minimum.

Shortcut Column SC1

UNIT 1, 'SC1'
FEEDS
STREAM PHASE
------------ ------
F100 LIQUID
PRODUCTS
STREAM + PHASE KG-MOL/HR KG/HR M3/HR M3/HR SECTION TRAYS
------------ - ---------- ---------- ---------- ---------- ------- -----
2 V 23.76 3064.87 3.05 532.50 1 3.69
3 L 2.34 394.83 0.37 52.37
TOTALS 26.09 3459.70 3.42 584.87 3.69
SPECIFICATIONS

----------------- ------- ------------- ---------- ----------
STRM 2 7 MOL RATIO 9.930E-01 9.939E-01
STRM 3 14 MOL RATIO 9.950E-01 9.923E-01
SUMMARY OF UNDERWOOD CALCULATIONS
MINIMUM REFLUX RATIO 0.06860

FEED CONDITION Q 1.63476
FENSKE MINIMUM TRAYS 3.68995
THEORETICAL TRAYS 2.00 * M-MINIMUM
TOTAL FEED R/R-MIN M/M-MIN REFLUX DUTY, M*KCAL/HR

TRAYS TRAY RATIO CONDENSER REBOILER
----- ---- ------- ------- ------ ---------- ----------
6 4.48 14.054 1.500 0.964 -2.752E-01 7.368E-01
6 5.14 7.694 1.750 0.528 -1.512E-01 6.128E-01
7 5.81 5.021 2.000 0.344 -9.888E-02 5.605E-01
8 6.47 3.610 2.250 0.248 -7.121E-02 5.328E-01
9 7.13 2.597 2.500 0.178 -5.129E-02 5.129E-01
(1) NORMAL VAPOR VOLUME IS 22.414 M3/KG-MOLE (0 C AND 1 ATM)

Shortcut Column SC2

UNIT 2, 'SC2'
FEEDS
STREAM PHASE
------------ ------
2 VAPOR
PRODUCTS
STREAM + PHASE KG-MOL/HR KG/HR M3/HR M3/HR SECTION TRAYS
------------ - ---------- ---------- ---------- ---------- ------- -----
4 V 4.68 567.15 0.62 104.88 1 7.14
5 L 19.08 2497.72 2.43 427.63
TOTALS 23.76 3064.87 3.05 532.50 7.14
SPECIFICATIONS

----------------- ------- ------------- ---------- ----------
STRM 5 1 MOL RATIO 1.000E-02 9.983E-03
STRM 4 7 WT FRACTION 1.500E-01 1.500E-01

FEED CONDITION Q 1.6E-05

----- ---- ------- ------- ------ ---------- ----------
11 2.99 1.822 1.500 11.988 -5.807E-01 3.716E-01
12 3.41 1.396 1.750 9.181 -4.448E-01 2.356E-01
14 3.82 1.245 2.000 8.189 -3.968E-01 1.876E-01
16 4.24 1.147 2.250 7.547 -3.657E-01 1.565E-01
18 4.65 1.078 2.500 7.090 -3.435E-01 1.344E-01

Shortcut Column SC3

UNIT 3, 'SC3'
FEEDS
STREAM PHASE
------------ ------
5 LIQUID
PRODUCTS
STRM + PHASE KG-MOL/HR KG/HR M3/HR M3/HR SECTION TRAYS
---------- - --------- -------- -------- ------- ------- -----
6 V 17.36 2228.51 2.17 389.21 1 10.43
7 L 1.71 269.21 0.26 38.41
TOTALS 19.08 2497.72 2.43 427.63 10.43
SPECIFICATIONS

----------------- ------- ------------- ---------- ----------
STRM 6 7 WT FRACTION 9.700E-01 9.700E-01
STRM 7 7 MOL RATIO 2.500E-03 2.506E-03

FEED CONDITION Q 1.00000

----- ---- ------- ------- ------ ---------- ----------
16 7.96 2.594 1.500 1.888 -3.406E-01 5.225E-01
18 9.21 1.762 1.750 1.283 -2.313E-01 4.132E-01
21 10.45 1.467 2.000 1.068 -1.926E-01 3.745E-01
23 11.69 1.271 2.250 0.925 -1.669E-01 3.488E-01
26 12.94 1.131 2.500 0.823 -1.485E-01 3.304E-01

Stream Component Flow Rates

STREAM ID F100 2 3 4
NAME
PHASE LIQUID VAPOR LIQUID VAPOR

1 124MBENZ 3.1283 3.1278 4.6166E-04 3.0966
2 INDENE 0.8695 0.8691 3.5302E-04 0.7798
3 MCRESOL 0.0509 0.0509 8.4696E-06 0.0486
4 24XYLNOL 0.0786 0.0785 8.2525E-05 0.0257
5 DODECANE 0.0775 0.0774 6.2901E-05 0.0624
6 23XYLNOL 0.0417 0.0416 1.4256E-04 1.9800E-03
7 NAPHTHLN 17.6792 17.5710 0.1081 0.6637
8 DIPHENYL 0.4040 0.3632 0.0408 2.8455E-05
9 23DIMHAPH 0.5051 0.3881 0.1170 3.6202E-06
10 2MNAPHTH 0.3931 0.3792 0.0140 3.0832E-04
11 ACENAPH 0.4676 0.2998 0.1678 7.0632E-07
12 DIBENZOF 0.5386 0.3333 0.2053 7.7971E-07
13 FLUORENE 0.6649 0.1684 0.4965 1.2682E-08
14 ANTHRCEN 1.1951 9.1578E-03 1.1859 5.2212E-13
TOTAL RATE, KG-MOL/HR 26.0940 23.7575 2.3365 4.6790
TEMPERATURE, C 100.0000 222.7513 298.9121 183.9460

PRESSURE, MM HG 780.0000 760.0000 780.0000 760.0000
ENTHALPY, M*KCAL/HR 0.1303 0.5410 0.0509 0.0920
MOLE FRAC VAPOR 0.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000 0.0000
STREAM ID 5 6 7
NAME
PHASE LIQUID VAPOR LIQUID
THERMO ID GS01 GS01 GS01

1 124MBENZ 0.0312 0.0312 9.5936E-10
2 INDENE 0.0894 0.0894 1.1216E-07
3 MCRESOL 2.2570E-03 2.2570E-03 7.6422E-10
4 24XYLNOL 0.0528 0.0528 2.9042E-06
5 DODECANE 0.0151 0.0151 1.7741E-08
6 23XYLNOL 0.0396 0.0396 4.6147E-05
7 NAPHTHLN 16.9073 16.8650 0.0424
8 DIPHENYL 0.3632 0.0247 0.3384
9 23DIMHAPH 0.3881 1.2987E-03 0.3868
10 2MNAPHTH 0.3788 0.2431 0.1357
11 ACENAPH 0.2998 1.2423E-04 0.2997
12 DIBENZOF 0.3333 1.9159E-04 0.3331
13 FLUORENE 0.1684 5.9110E-07 0.1684
14 ANTHRCEN 9.1578E-03 1.8807E-12 9.1577E-03
TEMPERATURE, C 223.3981 219.8274 269.3596

PRESSURE, MM HG 780.0000 760.0000 780.0000
ENTHALPY, M*KCAL/HR 0.2399 0.3906 0.0312
MOLE FRAC VAPOR 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000
Input Data (Rigorous)

The shortcut models are replaced with rigorous column simulations.
Simple initial estimates use values taken from the shortcut results.
The specifications are exactly the same as used in the shortcut sim-
ulation. The condenser and reboiler duties are varied to meet the
specifications.
Input Data File (Rigorous)

TITLE PROBLEM=P5R, PROJECT=AppBriefs, &
USER=SIMSCI, DATE=Nov_2008
DESC Naphthelene Separation (rigorous columns)
DIME METRIC, PRES=MMHG, XDEN=SPGR
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1, 124MBENZ/ 2, INDENE/ 3, MCRESOL/ &
4, 24XYLNOL/ 5, DODECANE/ 6, 23XYLNOL/ &
7, NAPHTHLN/ 10, 2MNAPHTH/ 14, ANTHRCEN, &
PETRO 8, DIPHENYL, 154.2, 1.0076, 254.6 /&
9, 23DIMHAPH, 156.2, 1.0407, 268.0 /&
11, ACENAPH, 154.2, 1.0930, 279.8 /&
12, DIBENZOF, 168.2, 0.9947, 274.6 /&
13, FLUORENE, 166.2, 1.0762, 297.33
THERMODYNAMIC DATA
METHODS KVALUE=GS,ENTHALPY=LK,DENSITY(L)=LK,DENS(V)=SRK
STREAM DATA
PROP STREAM=F100,TEMP=100,PRES=780,&
COMP(W)=376/ 101/ 5.5/ 9.6/ 13.2/ &
5.1/ 2266/ 62.3/ 78.9/ 55.9/ &
72.1/ 90.6/110.5/ 213
UNIT OPERATIONS
COLUMN UID=C1
PARAM TRAY=7
FEED F100,5
COND TYPE=PARTIAL,PRESS=760
PROD OVHD=2,23.6,BTMS=3
HEAT 1,1/2,7
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=222,RTEMP=298,RRATIO=0.34
COLUMN UID=C2
PARAM TRAY=14
FEED 2,3
PROD OVHD=4,4.6,BTMS=5
HEAT 1,1/2,14
VARY HEAT=1,2
PSPEC TOP=780
ESTI RRATIO=8
SPEC STREAM=5,COMP=1,RATE,RATIO,REFFEED,VALUE=0.01
COLUMN UID=C3
PARAM TRAY=22
FEED 5,12
HEAT 1,1/2,22
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=219,RTEMP=268,RRATIO=1.1
END

Output (Rigorous)
Partial results for column C3 are shown here. The molar component
flow rates are also presented for all the streams.
Column Summary for C3

UNIT 3, 'C3'
IN/OUT METHOD 3
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 219.1 760.00 32.3 17.4V -0.3377
2 220.6 780.00 32.5 49.7
3 220.7 780.00 32.5 50.0
4 220.8 780.00 32.5 49.9
5 220.9 780.00 32.5 49.9
6 221.1 780.00 32.5 49.9
7 221.2 780.00 32.4 49.9
8 221.4 780.00 32.4 49.8
9 221.6 780.00 32.3 49.8
10 222.0 780.00 32.1 49.7
11 222.6 780.00 31.9 49.6
12 223.6 780.00 51.3 49.3 19.6L
13 224.6 780.00 51.1 49.2
14 226.0 780.00 50.7 48.9
15 228.2 780.00 50.1 48.6
16 231.5 780.00 49.3 48.0
17 236.0 780.00 48.5 47.2
18 241.7 780.00 47.6 46.3
19 248.3 780.00 46.8 45.4
20 255.1 780.00 46.2 44.6
21 261.8 780.00 45.6 44.0
22R 268.2 780.00 43.5 2.2L 0.5208

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 5 LIQUID 12 1.0000 19.57 0.2465
PROD 6 VAPOR 1 17.42 0.3906
PROD 7 LIQUID 22 2.15 0.0389


UNIT 3, 'C3' (Cont)
SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM 6 1 7 WT FRACTION 9.700E-01 9.700E-01
Stream Component Flow Rates

STREAM ID F100 2 3 4
NAME
PHASE LIQUID VAPOR LIQUID VAPOR

1 124MBENZ 3.1283 3.1271 1.1587E-03 3.0959
2 INDENE 0.8695 0.8687 7.3089E-04 0.6131
3 MCRESOL 0.0509 0.0508 1.9183E-05 0.0456
4 24XYLNOL 0.0786 0.0785 1.1542E-04 0.0103
5 DODECANE 0.0775 0.0774 8.5638E-05 0.0303
6 23XYLNOL 0.0417 0.0416 1.4841E-04 1.4740E-03
7 NAPHTHLN 17.6792 17.5552 0.1239 0.6269
8 DIPHENYL 0.4040 0.3773 0.0268 6.3598E-04
9 23DIMHAPH 0.5051 0.4306 0.0745 2.8561E-04
10 2MNAPHTH 0.3931 0.3821 0.0110 2.0145E-03
11 ACENAPH 0.4676 0.3526 0.1149 1.3540E-04
12 DIBENZOF 0.5386 0.4105 0.1282 1.3227E-04
13 FLUORENE 0.6649 0.2383 0.4266 1.8733E-05
14 ANTHRCEN 1.1951 5.9746E-03 1.1891 1.5379E-08
TOTAL RATE, KG-MOL/HR
26.0940 23.9968 2.0972 4.4269
TEMPERATURE, C 100.0000 224.0946 300.3620 183.4528

PRESSURE, MM HG 780.0000 760.0000 780.0000 760.0000
MOLE FRAC VAPOR 0.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000 0.0000

STREAM ID 5 6 7
NAME
PHASE LIQUID VAPOR LIQUID
THERMO ID GS01 GS01 GS01

1 124MBENZ 0.0312 0.0312 3.2700E-10
2 INDENE 0.2556 0.2556 1.4599E-07
3 MCRESOL 5.2156E-03 5.2156E-03 6.0283E-10
4 24XYLNOL 0.0681 0.0681 1.5783E-06
5 DODECANE 0.0471 0.0471 1.4521E-08
6 23XYLNOL 0.0401 0.0401 2.6687E-05
7 NAPHTHLN 16.9283 16.8860 0.0423
8 DIPHENYL 0.3766 9.9374E-04 0.3756
9 23DIMHAPH 0.4304 2.6986E-05 0.4303
10 2MNAPHTH 0.3800 0.0810 0.2990
11 ACENAPH 0.3525 2.0181E-06 0.3525
12 DIBENZOF 0.4103 2.9159E-06 0.4103
13 FLUORENE 0.2383 4.8074E-09 0.2383
14 ANTHRCEN 5.9746E-03 1.0732E-15 5.9746E-03
TOTAL RATE, KG-MOL/HR
19.5699 17.4155 2.1545
TEMPERATURE, C 223.2300 219.1203 268.1982

PRESSURE, MM HG 780.0000 760.0000 780.0000
MOLE FRAC VAPOR 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 1.0000 0.0000 1.0000


P6 - MTBE Separation
An existing distillation column that recovers MTBE (methyl ter-
tiary-butyl ether) from the feed is shown in Figure P6-1.
Figure P6-1: MTBE Recovery Column.
P6 - MTBE Separation Petrochemicals 3-61

The feed stream contains mainly C4 components. This application
investigates the possibility of increasing the MTBE recovery to
99.8% and to determine the purity to which this corresponds.
Process Data
The column operates with a bubble point condenser, and hydraulic
factors limit the overhead reflux ratio to 0.8. The feed stream condi-
tions are listed in Table P6-1.
Table P6-1: Feed Stream Information
Component lb-mole/hr Component lb-mole/hr

Propylene 116.61 2-Butene (trans) 400.54
Propane 88.26 2-Butene (cis) 267.96
i-Butane 978.17 Methanol 142.07
i-Butene 8.75 i-Pentane 33.07
1-Butene 343.78 MTBE 321.76
1,3-Butadiene 6.02 tert-Butanol 0.55
n-Butane 433.77 MTAE 2.17
Methods and Data

The recovery of MTBE from a C4 mixture is a non-ideal separation,
and equations of state will not give good results for the equilibrium
calculations. Instead, the UNIFAC method is selected. This method
generates interaction parameters for the UNIQUAC equation based
on the structural groups in the component molecules. All the neces-
sary data for the groups in this simulation are stored in the PRO/II
databank.
Vapor phase fugacities are calculated with the Soave-Redlich-
Kwong equation, and the Poynting correction is applied to the liq-
uid fugacities. The default ideal enthalpies and densities are used.
3-62 Petrochemicals P6 - MTBE Separation

Simulation Model
The conventional column model is used for this simulation. As no
solution method is specified, the default IO algorithm is used.
The feed is flashed into the column and some vapor is produced.
The SEPARATE option specifies that the vapor portion is fed to the
tray above the feed tray. The default would put the liquid on top of
the feed tray and the vapor beneath it.
The column specifications are the MTBE recovery in the bottom
product and the reflux ratio limit of 0.8. The default tolerance on a
specification is 1%. This is clearly too loose for the recovery speci-
fication, so instead specify an absolute tolerance of 0.0001. The
reboiler and condenser duties are varied to satisfy the specifica-
tions.
Input Data
The default English dimensional units are used throughout this sim-
ulation. As we are interested in the product purity, component per-
centage printout is requested.
Input Data File
TITLE PROJECT=APPBRIEFS, PROBLEM=P6, &
USER=SIMSCI, DATE=NOV_2008
DESC MTBE Recovery Column
PRINT PERCENTAGE, INPUT=ALL
COMPONENT DATA
LIBID 1,PRLN/ 2, C3/ 3, IC4/ 4,IBTE/ 5,BUT1/ &
6,13BD/ 7,NC4/ 8,BTT2/ 9,BTC2/10,MEOH/ &
11,IC5/12,MTBE/13, TBA/14,MTAE, &
THERMODYNAMIC DATA
METHOD SYSTEM=UNIFAC,PHI=SRK, TRANS=NONE
KVALUE POYNTING=YES
STREAM DATA
PROP STREAM=1,TEMP=160,PRES=150,RATE=3143.48, &
COMP=1,116.6/ 2,88.26 / 3,978.2/ 4, 8.75/ &
5,343.8/ 6, 6.02 / 7,433.8/ 8,400.5/ &
9, 268 /10,142.1 /11,33.07/12,321.8/ &
13, 0.55/14, 2.17
UNIT OPERATIONS
COLUMN UID=C1,NAME=MTBE
PARAM TRAY=34
FEED 1,15,SEPARATE
COND TYPE=BUBBLE,PRESS=116
PROD OVHD=2,BTMS=3,350
HEAT 1,1,-50/2,34,50
SPEC COLUMN=C1,RRATIO,VALUE=0.8
SPEC STREAM=3,RATE,COMP=12,RATIO, &
REFFEED,VALUE=0.998,ATOL=0.0001
VARY HEAT=1,2
END
Results
The column solves with the 99.8% MTBE recovery (in bottoms
product stream 3, specification 2) at the limiting reflux ratio of 0.8
(specification 1). The condenser and reboiler duties are -41.49 and
40.90 MM Btu/hr respectively. The bottom product (stream 3) is
99.3% pure MTBE.
Conclusions
The simulation demonstrates that the column can meet the new ser-
vice as long as the duties can be met, and that an MTBE purity of
99.3% is attainable.
Output
The column summary is presented together with the stream compo-
nent flow rates and compositions.
MTBE Column Summary
UNIT 1, 'C1', 'MTBE'
IN/OUT METHOD 6
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ----------
1C 133.2 116.00 2256.1 2820.2L -41.4878
2 144.4 121.00 2312.5 5076.3
3 147.9 121.47 2319.5 5132.6
4 149.9 121.94 2314.3 5139.7
5 151.4 122.41 2304.5 5134.5
6 152.9 122.88 2292.3 5124.7
7 154.3 123.34 2277.7 5112.5
8 155.9 123.81 2259.5 5097.8
9 157.6 124.28 2236.1 5079.6

10 159.6 124.75 2205.4 5056.2
11 162.1 125.22 2165.5 5025.6
12 165.1 125.69 2115.7 4985.7
13 169.0 126.16 2058.4 4935.8
14 173.5 126.63 1999.9 4878.5 164.4V
15 179.3 127.09 4683.7 4655.7 2979.0L
16 211.2 127.56 4473.3 4360.4
17 244.9 128.03 4518.6 4150.0
18 267.5 128.50 4643.7 4195.3
19 278.7 128.97 4714.9 4320.4
20 283.7 129.44 4753.3 4391.5
21 286.0 129.91 4773.0 4430.0
22 287.1 130.38 4784.4 4449.7
23 287.8 130.84 4792.1 4461.1
24 288.3 131.31 4798.2 4468.8
25 288.7 131.78 4803.5 4474.9
26 289.1 132.25 4808.3 4480.2
27 289.4 132.72 4812.8 4485.0
28 289.8 133.19 4817.1 4489.4
29 290.1 133.66 4821.5 4493.8
30 290.5 134.13 4825.7 4498.2
31 290.8 134.59 4829.8 4502.4
32 291.2 135.06 4833.5 4506.5
33 291.6 135.53 4836.4 4510.2
34R 292.1 136.00 4513.1 323.3L 40.9018
UNIT 1, 'C1', 'MTBE' (Continued)

TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 MIXED 15 0.9477 3143.48 13.5154
PROD 2 LIQUID 1 2820.16 9.0223
PROD 3 LIQUID 34 323.32 3.9067

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT C1 1 MOL RRATIO 8.000E-01 8.000E-01

REFLUX RATIOS
-------- REFLUX RATIOS --------

--------- --------- ---------

STREAM ID 1 2 3
NAME
THERMO ID UNIF01 UNIF01 UNIF01

1 PRLN 116.5948 116.5948 5.3768E-13
2 C3 88.2561 88.2561 9.1717E-13
3 IC4 978.1564 978.1564 5.3186E-08
4 IBTE 8.7496 8.7496 2.6982E-09
5 BUT1 343.7847 343.7847 1.4325E-07
6 13BD 6.0197 6.0197 7.5656E-10
7 NC4 433.7807 433.7807 3.6005E-07
8 BTT2 400.4822 400.4822 1.0280E-06
9 BTC2 267.9881 267.9881 1.5652E-06
10 MEOH 142.0937 142.0937 5.0458E-08
11 IC5 33.0685 33.0681 4.2921E-04
12 MTBE 321.7857 0.6406 321.1450
13 TBA 0.5500 0.5474 2.6191E-03
14 MTAE 2.1699 2.4599E-09 2.1699
TEMPERATURE, F 160.0000 133.1592 292.0749

PRESSURE, PSIA 150.0000 116.0000 136.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
Stream Molar Component Percents

STREAM ID 1 2 3
NAME

THERMO ID UNIF01 UNIF01 UNIF01
FLUID MOLAR PERCENTS

1 PRLN 3.7091 4.1343 1.6630E-13
2 C3 2.8076 3.1295 2.8367E-13
3 IC4 31.1170 34.6844 1.6450E-08
4 IBTE 0.2783 0.3103 8.3453E-10
5 BUT1 10.9364 12.1902 4.4307E-08
6 13BD 0.1915 0.2135 2.3400E-10
7 NC4 13.7994 15.3814 1.1136E-07
8 BTT2 12.7401 14.2007 3.1794E-07
9 BTC2 8.5252 9.5026 4.8412E-07
10 MEOH 4.5203 5.0385 1.5606E-08
11 IC5 1.0520 1.1726 1.3275E-04
12 MTBE 10.2366 0.0227 99.3279
13 TBA 0.0175 0.0194 8.1007E-04
14 MTAE 0.0690 8.7225E-11 0.6711
TEMPERATURE, F 160.0000 133.1592 292.0749

PRESSURE, PSIA 150.0000 116.0000 136.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000


P7 - Propylene Chlorination
Your propylene chlorination plant reacts chlorine with propylene to
produce allyl chloride (3-chloropropene), 1,2-dichloropropane, and
1,3-dichloropropene. The reaction takes place in a continuous
stirred tank reactor and the resulting products are separated in a
fractionation section downstream of the reactor. Most of the unre-
acted propylene is recycled back to the reactor. You wish to develop
a model of this plant to determine the product rates for a proposed
increase in the propylene feed stream rate.
Process Data
The process flowsheet for the propylene chlorination plant is shown
below in Figure P7-1.
Figure P7-1: Propylene Chlorination Plant Flowsheet
The system consists of the reactor, main separator, hydrochloric acid scrubber, allyl
chloride column, propylene recycle drier and compressor, and the associated pump and
heat exchangers. Plant feeds include propylene and chlorine.
P7 - Propylene Chlorination Petrochemicals 3-69

The simulation data given in Table P7-1 is specified based on the
proposed feed stream rates and conditions and operating data
obtained from a recent plant test
Table P7-1: Process Information .
Feeds Propylene Chlorine
Rate, lb mole/hr 100.00 113.88
Temperature, F 60.0 80.0
Pressure, psia 200.0 100.0
Unit Ops Pressure, psia Temperature, F
Propylene Compressor 88.8 --
Reactor 73.5 800.0
Reactor - Aftercooler -- 50.0
Allyl Chloride Pump 100.0 --
Allyl Chloride Cooler -- 20.0
Separators Top Pressure, psia Bottom Pressure, psia
Propylene Separator 20.0 27.0
HCL Separator 19.0 19.0
Drier 18.0 18.0
Allyl Chloride Separator 14.7 19.7
Separation Specifications
Propylene Separator 99.9% Recovery of Propylene
90% Recovery of Allyl Chloride
HCL Separator 100% Recovery of HCL
Drier 1% loss of Chlorine and Propylene
Allyl Chloride Separator 99% Recovery of Allyl Chloride
99% Recovery of 1,2 Dichloropropane
Methods and Data

The Soave-Redlich-Kwong (SRK) system is specified with
COSTALD liquid densities as recommended in Section 25, Appli-
cation Guidelines, of the PRO/II Keyword Input Manual. Soave-
Redlich-Kwong is a cubic equation of state recommended for most
light-hydrocarbon, petrochemical applications. Other methods rec-
ommended for this type of system include Peng-Robinson and
Benedict-Webb-Rubin-Starling equations of state.
3-70 Petrochemicals P7 - Propylene Chlorination

Table P7-2 provides the components present in the flowsheet and
the reaction rates for the three independent reactions.
Table P7-2: Component Species in Flowsheet
Component Formula PRO/II Library ID
Chlorine Cl2 CL2
Propylene C 3H 6 PROPYLEN
Allyl Chloride C3H5CL ALLYLCL
Hydrochloric Acid HCL HCL
1,2-diChloro-Propane C3H6CL2 12DCLPRP
1,3-di-Chloro-Propane C3H4CL2 13DCLPRE
Kinetic Data
Cl 2 + C 3 H 6 C 3 H 5 Cl + HCl
11 27009.6
Rate = 2.1 10 e ---------------------- ( C Cl2 ) ( C C3 H 6 )
RT
Cl 2 + C 3 H 6 C 3 H 6 Cl 2
7 6811.98
Rate = 1.19 10 e ---------------------- ( C Cl2 ) ( C C3 H6 )
RT
Cl 2 + C 3 H 5 Cl C 3 H 4 Cl 2 + HCl
14 42300
Rate = 4.69 10 e ------------------ ( C Cl2 ) ( C C3 H5 Cl )
RT
Note: Reaction rates are lb moles per cubic foot per hour.
Activation energies are Btu per lb mole.
Simulation Model
The simulation flowsheet is shown in Figure P7-1. Pure chlorine
and the combined propylene feed stream (pure feedstock and the
recycle stream) are fed to the reactor which is maintained at 800 F
and has a volume of 10 cubic feet. The reactor products are mixed
with some of the recycled chlorinated propylenes and cooled to 56
F before entering the main separator.
The main separator is modeled as a shortcut distillation column.
Propylene is the overhead product and chlorinated propylenes are
the bottoms product. Seventy percent of the bottoms product is

pumped, cooled, and recycled back to the main separator, and the
remaining 30 percent is separated into allyl chloride and other chlo-
rinated propylenes using a second shortcut distillation column.
The overhead product from the main separator feeds the hydrochlo-
ric acid scrubber, which is modeled as a stream calculator, where
hydrochloric acid is recovered as the bottoms product. The over-
head product then passes through a drier where water is removed
along with a small loss of chlorine and propylene (note that water is
excluded from the simulation since its effect on the process is negli-
gible). The recycle propylene drier is also modeled as a stream cal-
culator. This dehydrated propylene recycle stream is compressed
and mixed with the pure propylene feed stream and fed to the reac-
tor to close the recycle loop.
Because of the relatively large propylene recycle with respect to the
feed streams it is normally recommended that an estimate be given
for its flowrate. For this example, however, no estimate has been
provided to illustrate the powerful convergence capability that
PRO/II has to offer for difficult recycle problems.
Note that the flowsheet has two recycle streams and a reactor. Reac-
tors in recycle tend to complicate recycle convergence particularly
when direct substitution is used. For this problem, Wegstein accel-
eration has been applied with a lower limit of -50 to speed conver-
gence. The choice of recycle method depends upon user preference,
but this combination has proved effective for many applications,
particularly when no initial estimates are given for the recycle
stream.
Since no recycle estimates are provided, the number of recycle iter-
ations is increased from the default value of 10 to 50.
Input Data
A molar flow estimate is provided for the overhead from the first
shortcut column (Note 2). This estimate is based on zero recycle
initially (the estimate must always be less than the feed to the short-
cut column or failure will occur). In the RECYCLE data section, the
Wegstein acceleration method is applied (Note 1).
Input Data File
TITLE PROBLEM=P7, PROJECT=APPBRIEFS, USER=SIMSCI, &

DATE=Nov_2008
DIME ENGLISH
CALC TRIALS=50
TOLER STREAM=0.001,-0.5,0.01,0.01
COMPONENT DATA
LIBID 1,HCL / 2,CL2 / 3, PROPYLEN / 4, ALLYLCL / &
5, 12DCLPRP / 6, 13DCLPRE &
THERMO DATA
METHODS SYSTEM=SRK, DENSITY(L)=COSTALD
STREAM DATA
PROP STREAM=PRPL, TEMP=60, PRES=200, COMP=3,100
PROP STREAM=CL2, TEMP=80, PRES=100, COMP=2,113.88
NAME CL2, CHLORINE / PRPL, PROPYLENE / &
S6, MAIN RECYCLE / S14, ALCL RECYCLE / &
S4, HCL PRODUCT / S10, DRIER LOSS / &
ALCL ,ALLYL CHLOR / DICL, DICHLORIDES
UNIT OPERATIONS
COMPRESSOR UID=10
FEED S6
PROD V=S6A
OPER PRESSURE=88.8
MIXER UID=1
FEED PRPL,S6A
PROD M=S9
CSTR UID=CST1
RXCALC REFPHASE=V
FEED CL2,S9
PROD V=S13
OPER VOLUME=10.0, PHASE=V, TEMP=800, PRES=73.5
STOI 3,-1,1 / 2,-1,1 / 4,1,0 / 1,1,0
BASE PEXP=2.1E11, ACTIVATION=27.0096, COMP=2
STOI 3,-1,1 / 2,-1,1 / 5,1,0
STOI 4,-1,1 / 2,-1,1 / 6,1,0 / 1,1,0
BASE PEXP=4.69E14, ACTIVATION=4.23E1, COMP=2
HX UID=3
HOT FEED=S13,S14,L=S1
OPERATION HTEMP=50
SHORTCUT UID=4, NAME=PRPL COLUMN

FEED S1

PROD STRM=S3, PRES=20, RATE=50 $NOTE 2
PROD STRM=S2, PRES=27
COND TYPE=PART
SPEC STREAM=S3, COMP=3, RATE, RATIO, REFFEEDS, &
VALUE=0.999, ATOL=0.0001
SPEC STREAM=S2, COMP=4, RATE, RATIO, REFFEEDS, &
VALUE=0.90, ATOL=0.0001
EVALUATE MODEL=CONVENTIONAL
SPLIT UID=5
FEED S2
PROD L=S12,L=S11
SPEC STREAM=S11, RATE, RATIO, REFFEEDS, &
VALUE=0.7, ATOL=0.0001
PUMP UID=6
FEED S11
PROD L=S11A
OPER PRES=100
HX UID=6A
HOT FEED=S11A,M=S14
OPERATION HTEMP=20
SHORTCUT UID=7, NAME=ALCL COLUMN

FEED S12
PROD STRM=ALCL, RATE=50, PRES=14.7
PROD STRM=DICL, PRES=19.7
COND TYPE=PART
EVALUATE MODEL=CONVENTIONAL
SPEC STREAM=ALCL, COMP=4, RATE, RATIO, REFFEEDS, &
VALUE=0.99, ATOL=0.0001
SPEC STREAM=DICL, COMP=5, RATE, RATIO, REFFEEDS, &
VALUE=0.99, ATOL=0.0001
STCALC UID=8, NAME=HCL COLUMN

FEED S3
OVHD STRM=S5, PRES=19, TEMP=80
BTMS STRM=S4, PRES=19, TEMP=230
FBTMS 1,,1.0 / 2,6,0.0
STCALC UID=9, NAME=DRIER

FEED S5
OVHD STRM=S6, PRES=18, TEMP=44.2
BTMS STRM=S10, PRES=18, TEMP=44.2
FBTMS 1,,1.0 / 2,4,0.01 / 5,6,0.0
RECYCLE DATA
ACCEL TYPE=WEGS, START=3, WEGL=-50 $NOTE 1
END
Results
The recycle loop converged in 29 iterations. Single pass conversion
rates are as follows:
Propylene 7.5 percentChlorine51.3 percent
The reactor effluent cooler and main separator bottoms cooler
duties are 25.8 MM Btu/hr and 0.95 MM Btu/hr respectively. The
propylene recycle compressor hydraulic horsepower is 813 hp.
Conclusions
The plant product yields for this propylene feed rate are:
Hydrochloric Acid3600 lb/hrAllyl Chloride3900 lb/hrDichlorides
4200 lb/hr
Output
above. On the following pages, output is shown for:
1. CSTR Reactor
2. Shortcut Columns
3. Stream Calculators
4. Stream Molar Component Flowrates

CSTR Summary
UNIT 3, 'CST1'
REACTOR TYPE ISOTHERMAL
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 3.890E-05
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 2.571E+04
INLET OUTLET
----------- -----------
FEED CL2
S9
VAPOR PRODUCT S13

------------------ ----------- ----------- ----------- -----------
1 HCL 0.0000 99.0157 99.0157
2 CL2 218.8431 -112.6808 106.1623 0.5149
3 PROPYLEN 1177.1047 -88.7877 1088.3171 0.0754
4 ALLYLCL 18.7333 51.2295 69.9628
5 12DCLPRP 0.0134 13.6650 13.6784
6 13DCLPRE 2.858E-03 23.8931 23.8960
TOTAL 1414.6973 -13.6650 1401.0323
LB-MOL/HR/FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED -E/RT
------------------ --------- ---------- ----------- -----------
2 CL2 1 -7.5123 0.3433 -10.7971
2 CL2 2 -1.3665 0.0624 -2.7231
2 CL2 3 -2.3893 0.1092 -16.9095

-------------------- ----------- ----------- ----------- -----------
1 HCL 0.0000 3610.1771 3610.1771
2 CL2 15517.1561 -7989.6744 7527.4817 0.5149
3 PROPYLEN 49533.3185 -3736.2415 45797.0770 0.0754
4 ALLYLCL 1433.5709 3920.3617 5353.9326
5 12DCLPRP 1.5109 1543.9558 1545.4668
6 13DCLPRE 0.3172 2651.4214 2651.7386
TOTAL 66485.8737 0.0000 66485.8737

Shortcut Column Summary

UNIT 5, '4', 'PRPL COLUMN'
FEEDS
STREAM PHASE
------------ ------
S1 MIXED
PRODUCTS ------------- TOTAL STREAM RATES -------------

STREAM + PHASE LB-MOL/HR LB/HR FT3/HR FT3/HR SECTION TRAYS
------------ - ---------- ---------- ---------- ---------- ------- -----
S3 V 1311.96 58360.70 1591.52 497867.24 1 2.64
S2 L 296.88 27082.61 409.53 112662.89
TOTALS 1608.85 85443.31 2001.05 610530.12 2.64
SPECIFICATIONS
----------------- ------- ------------- ---------- ----------
STRM S3 3 MOL RATIO 9.990E-01 9.990E-01
STRM S2 4 MOL RATIO 9.000E-01 8.999E-01
UNIT 9, '7', 'ALCL COLUMN'

FEEDS
STREAM PHASE
------------ ------
S12 LIQUID
PRODUCTS ------------- TOTAL STREAM RATES -------------

STREAM + PHASE LB-MOL/HR LB/HR FT3/HR FT3/HR SECTION TRAYS
------------ - ---------- ---------- ---------- ---------- ------- -----
ALCL V 51.14 3907.05 66.43 19408.63 1 6.12
DICL L 37.92 4217.72 56.43 14390.23
TOTALS 89.07 8124.77 122.86 33798.87 6.12
SPECIFICATIONS
----------------- ------- ------------- ---------- ----------
STRM ALCL 4 MOL RATIO 9.900E-01 9.900E-01
STRM DICL 5 MOL RATIO 9.900E-01 9.900E-01

Stream Calculator Summary

UNIT 10, '8', 'HCL COLUMN'
NET DUTY, MM BTU/HR 1.85731
FEEDS STREAM ID FACTOR

S3 1.000
TOTAL RATE, LB-MOL/HR 1311.960
TEMPERATURE, F -18.204
PRESSURE, PSIA 20.000
MOLECULAR WEIGHT 44.4836
MOL FRAC VAPOR 1.00000
MOL FRAC TOTAL LIQUID 0.00000
MOL FRAC MW SOLID 0.00000
ENTHALPY, MM BTU/HR 8.57487
ALTERNATE
PRODUCTS OVERHEAD BOTTOMS PRODUCT
VAPOR S5 S4
TOTAL RATE, LB-MOL/HR 1212.947 99.014 N/A
TEMPERATURE, F 80.000 230.000 N/A
PRESSURE, PSIA 19.000 19.000 N/A
PRESSURE DROP, PSI 1.000 1.000 N/A
ENTHALPY, MM BTU/HR 9.73413 0.69805 N/A
UNIT 11, '9', 'DRIER'

NET DUTY, MM BTU/HR -0.63507

S5 1.000
ALTERNATE
VAPOR S6 S10


STREAM ID ALCL CL2 DICL PRPL
NAME ALLYL CHLOR CHLORINE DICHLORIDES PROPYLENE
PHASE VAPOR VAPOR LIQUID LIQUID

1 HCL 1.3824E-03 0.0000 1.7494E-14 0.0000
2 CL2 0.1395 113.8800 5.1461E-09 0.0000
3 PROPYLEN 0.3283 0.0000 6.8725E-10 100.0000
4 ALLYLCL 50.5294 0.0000 0.5110 0.0000
5 12DCLPRP 0.1368 0.0000 13.5282 0.0000
6 13DCLPRE 9.4396E-03 0.0000 23.8814 0.0000
TOTAL RATE, LB-MOL/HR 51.1449 113.8800 37.9206 100.0000
TEMPERATURE, F 112.8049 80.0000 237.9198 60.0000

PRESSURE, PSIA 14.7000 100.0000 19.7000 200.0000
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 1.0000
STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT
PHASE MIXED LIQUID VAPOR VAPOR

1 HCL 99.0190 4.6081E-03 99.0138 99.0138
2 CL2 106.4879 0.4651 106.0233 0.0000
3 PROPYLEN 1089.0830 1.0942 1087.9846 0.0000
4 ALLYLCL 189.0564 170.1337 18.9225 0.0000
5 12DCLPRP 45.5637 45.5504 0.0134 0.0000
6 13DCLPRE 79.6417 79.6368 2.8584E-03 0.0000
TEMPERATURE, F 50.0000 172.8110 -18.2045 230.0000

PRESSURE, PSIA 73.5000 27.0000 20.0000 19.0000
MOLE FRAC VAPOR 0.5391 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.4609 1.0000 0.0000 0.0000

Stream Molar Component Rates (continued)

STREAM ID S5 S6 S6A S9
NAME MAIN RECYCLE
PHASE VAPOR VAPOR VAPOR VAPOR

1 HCL 0.0000 0.0000 0.0000 0.0000
2 CL2 106.0233 104.9631 104.9631 104.9631
3 PROPYLEN 1087.9846 1077.1047 1077.1047 1177.1047
4 ALLYLCL 18.9225 18.7333 18.7333 18.7333
5 12DCLPRP 0.0134 0.0134 0.0134 0.0134
6 13DCLPRE 2.8584E-03 2.8584E-03 2.8584E-03 2.8584E-03
TEMPERATURE, F 80.0000 44.2000 165.8135 127.3812

PRESSURE, PSIA 19.0000 18.0000 88.8000 88.8000
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0000

NAME DRIER LOSS
PHASE VAPOR LIQUID LIQUID LIQUID

1 HCL 0.0000 3.2256E-03 3.2256E-03 1.3824E-03
2 CL2 1.0602 0.3256 0.3256 0.1395
3 PROPYLEN 10.8798 0.7659 0.7659 0.3283
4 ALLYLCL 0.1892 119.0936 119.0936 51.0401
5 12DCLPRP 0.0000 31.8853 31.8853 13.6651
6 13DCLPRE 0.0000 55.7458 55.7458 23.8910
TEMPERATURE, F 44.2000 172.8110 173.1079 172.8110

PRESSURE, PSIA 18.0000 27.0000 100.0000 27.0000
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 1.0000

Stream Molar Component Rates (continued)

STREAM ID S13 S14
NAME ALCL RECYCLE
PHASE VAPOR LIQUID
THERMO ID SRK01 SRK01

1 HCL 99.0157 3.2256E-03
2 CL2 106.1623 0.3256
3 PROPYLEN 1088.3171 0.7659
4 ALLYLCL 69.9628 119.0936
5 12DCLPRP 13.6784 31.8853
6 13DCLPRE 23.8960 55.7458
TOTAL RATE, LB-MOL/HR 1401.0323 207.8194
TEMPERATURE, F 800.0000 20.0000

PRESSURE, PSIA 73.5000 100.0000
ENTHALPY, MM BTU/HR 32.5062 0.0978
MOLECULAR WEIGHT 47.4549 91.2226
MOLE FRAC VAPOR 1.0000 0.0000
MOLE FRAC LIQUID 0.0000 1.0000

Use of Gibbs Reactor

To illustrate the use of the Gibbs Reactor, assume that no kinetic
data is available for the reactions. Instead of using a CSTR, a
GIBBS reactor is used with an overall conversion of chlorine of 60
percent. The extent of the reaction is then governed by the minimi-
zation of free energy with a limitation of 60 percent chlorine con-
version.
The input data is modified as follows:
Replace:
CSTR UID=CST1
RXCALC REFPHASE=V
FEED CL2,S9
PROD V=S13
OPER VOLUME=10.0, PHASE=V, TEMP=800, PRES=73.5
STOI 3,-1,1 / 2,-1,1 / 4,1,0 / 1,1,0
STOI 3,-1,1 / 2,-1,1 / 5,1,0
STOI 4,-1,1 / 2,-1,1 / 6,1,0 / 1,1,0
BASE PEXP=4.69E14, ACTIVATION=4.23E1, COMP=2
With:
GIBBS UID=GIB1
FEED CL2,S9
PROD V=S13
OPER PHASE=V,TEMP=800,PRES=73.5
ELEM REAC=1/2/3/4/5/6
CONV PERCENT=2,60.0
The lower limit of the Wegstein acceleration factor (WEGL) is
increased to -10 in the recycle data since the faster acceleration is
not necessary in this case (the WEGL keyword could be omitted
since the default value of -5 is acceptable, but the WEGL specifica-
tion is retained here for purposes of illustration).
Gibbs Reactor Output

Because the reactor products change significantly with this revised
reactor specification, this solution is very different than the previous
solution. Only the reactor summary and stream molar component
flowrates are shown here.

Gibbs Reactor Summary

UNIT 3, 'GIB1'
REACTOR TYPE ISOTHERMAL
MINIMUM GIBBS FREE ENERGY (G/RT), /HR 2145.8829
INLET OUTLET
----------- -----------
FEED CL2
S9
VAPOR PRODUCT S13
REACTION DATA
--------- RATES, LB-MOL/HR ---------- FRACTION
------------------ ----------- ----------- ----------- -----------
1 HCL 0.0000 112.1781 112.1781
2 CL2 188.3769 -113.0261 75.3508 0.6000
3 PROPYLEN 372.7489 -97.1576 275.5914 0.2607
4 ALLYLCL 29.3812 80.4410 109.8221
5 12DCLPRP 8.933E-04 0.8480 0.8489
6 13DCLPRE 2.138E-03 15.8686 15.8707
TOTAL 590.5100 -0.8480 589.6620
REACTOR MASS BALANCE

----------- Rates, LB/HR ------------ Fraction
-------------------- ----------- ----------- ----------- -----------
1 HCL 0.0000 4090.0866 4090.0866
2 CL2 13356.9406 -8014.1644 5342.7762 0.6000
3 PROPYLEN 15685.5137 -4088.4525 11597.0612 0.2607
4 ALLYLCL 2248.4047 6155.7781 8404.1828
5 12DCLPRP 0.1009 95.8131 95.9141
6 13DCLPRE 0.2372 1760.9392 1761.1764
TOTAL 31291.1971 0.0000 31291.1973


STREAM ID ALCL CL2 DICL PRPL
NAME ALLYL CHLOR CHLORINE DICHLORIDES PROPYLENE
PHASE VAPOR VAPOR LIQUID LIQUID

1 HCL 1.5461E-03 0.0000 2.4282E-14 0.0000
2 CL2 0.0984 113.8800 3.9740E-09 0.0000
3 PROPYLEN 0.0858 0.0000 2.1366E-10 100.0000
4 ALLYLCL 79.3410 0.0000 0.8015 0.0000
5 12DCLPRP 8.4978E-03 0.0000 0.8392 0.0000
6 13DCLPRE 6.2718E-03 0.0000 15.8500 0.0000
TEMPERATURE, F 112.3986 80.0000 239.4151 60.0000

PRESSURE, PSIA 14.7000 100.0000 19.7000 200.0000
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 1.0000
STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT

1 HCL 112.1817 5.1537E-03 112.1827 112.1827
2 CL2 75.5804 0.3281 75.2494 0.0000
3 PROPYLEN 275.7915 0.2859 275.5040 0.0000
4 ALLYLCL 296.8212 267.1415 29.6779 0.0000
5 12DCLPRP 2.8269 2.8258 8.9327E-04 0.0000
6 13DCLPRE 52.8688 52.8544 2.1376E-03 0.0000
TEMPERATURE, F 50.0000 157.8164 12.9042 230.0000

PRESSURE, PSIA 73.5000 27.0000 20.0000 19.0000
MOLE FRAC VAPOR 0.2058 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.7942 1.0000 0.0000 0.0000

PROBLEM P7Gibbs OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Nov_2008
==============================================================================
NAME MAIN RECYCLE
PHASE VAPOR VAPOR VAPOR MIXED

1 HCL 0.0000 0.0000 0.0000 0.0000
2 CL2 75.2494 74.4969 74.4969 74.4969
3 PROPYLEN 275.5040 272.7489 272.7489 372.7489
4 ALLYLCL 29.6779 29.3812 29.3812 29.3812
5 12DCLPRP 8.9327E-04 8.9327E-04 8.9327E-04 8.9327E-04
6 13DCLPRE 2.1376E-03 2.1376E-03 2.1376E-03 2.1376E-03
TEMPERATURE, F 80.0000 44.2000 171.9198 77.7181

PRESSURE, PSIA 19.0000 18.0000 88.8000 88.8000
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 0.9680
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0320

NAME DRIER LOSS

1 HCL 0.0000 3.6076E-03 3.6076E-03 1.5461E-03
2 CL2 0.7525 0.2296 0.2296 0.0984
3 PROPYLEN 2.7550 0.2002 0.2002 0.0858
4 ALLYLCL 0.2968 186.9991 186.9991 80.1425
5 12DCLPRP 0.0000 1.9780 1.9780 0.8477
6 13DCLPRE 0.0000 36.9981 36.9981 15.8563
TEMPERATURE, F 44.2000 157.8164 158.1370 157.8164

PRESSURE, PSIA 18.0000 27.0000 100.0000 27.0000
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 1.0000

PROBLEM P7Gibbs OUTPUT SIMSCI
STREAM MOLAR COMPONENT RATES Nov_2008
==============================================================================
STREAM ID S13 S14
NAME ALCL RECYCLE
PHASE VAPOR LIQUID

1 HCL 112.1781 3.6076E-03
2 CL2 75.3508 0.2296
3 PROPYLEN 275.5914 0.2002
4 ALLYLCL 109.8221 186.9991
5 12DCLPRP 0.8489 1.9780
6 13DCLPRE 15.8707 36.9981
TEMPERATURE, F 800.0000 20.0000

PRESSURE, PSIA 73.5000 100.0000

Section 4: Chemical
C1 - Dryer Column
You have been asked to design a distillation column to separate
methanol out of a methanol/water mixture. A schematic of the col-
umn is shown in Figure C1-1.
Figure C1-1: Methanol Dryer Column
C1 - Dryer Column Chemical 4-87

The feed contains approximately 30% methanol. The methanol
product, which is recovered overhead, must have a purity of 96%
with a recovery of 99.9% of the methanol in the feed.You must
determine the column configuration, the duties required by the con-
denser and reboiler, and the diameter of the column.
Process Data
The condenser operates at the bubble point of the overhead. Table
C1-1 lists the composition of the feed.
Table C1-1: Feed Stream Information
Component Rate, kg-moles /hour
Methanol 420
Water 1010
Temperature bubble point
Pressure, mmHg 760
Methods and Data

Measured equilibrium data are used to derive binary interaction
constants for the NRTL equation. The (binary water-MeOH) equi-
librium composition data at 760 mmHg are shown in Table C1-2.
Table C1-2: Atmospheric Binary Data
Mole Fraction Mole Fraction
Temperature, C Liquid MeOH Vapor MEOH
100.0 0.000 0.000
96.2 0.020 0.130
93.9 0.036 0.207
90.3 0.065 0.325
88.8 0.084 0.384
84.0 0.155 0.525
79.5 0.245 0.620
76.0 0.375 0.715
71.8 0.565 0.810
68.0 0.782 0.913
66.0 0.895 0.957
64.7 1.000 1.000
Constants for use by the NRTL equation are regressed from the
pressure-temperature-liquid and vapor composition data using Sim-
sci's REGRESSTM program (described in the Thermo Data Manager
User Guide installed with PRO/II). NRTL will accurately model
4-88 Chemical C1 - Dryer Column

non-ideal behavior and predict the formation of any azeotrope. The
vapor pressure and enthalpy data are taken from the PRO/II library,
and ideal vapor phase behavior is assumed.
From the data data in Table C1-2, the REGRESS program gener-
ated the NRTL constants shown in Table C1-3. Methanol is compo-
nent 1 and water is component 2.
Table C1-3: NRTL Constants
for Methanol-Water
A12 -121.89
A21 427.30
0.2835
Although NRTL was chosen for this simulation, the REGRESSTM

program may be used to obtain coefficients for any of the liquid
activity methods available in PRO/II.
Simulation Model
The first step in any column design is to establish the number of
theoretical trays and the location of the feed. You know from past
experience that between 10 and 20 theoretical trays are usually
required for this type of separation, with the feed located near the
middle of the column. The initial column model will therefore con-
tain 15 trays, including the condenser and reboiler, with the feed to
tray 8.
The column is modeled as a conventional fractionator using the
default IO solution method. The specifications are the required
methanol purity and recovery, and the condenser and reboiler duties
are varied to meet them.
The tray sizing option calculates the diameter of each tray to meet
the design flooding factor. All the trays are then automatically rated
at the largest calculated diameter.
Input Data
In the input file listing below, metric dimensional units are used for
this simulation with the pressure changed to mmHg. Components
are declared on the LIBID statement so methanol is component 1 and
water is component 2. The BANK entry always is required on the
LIBID statement to unambiguously declare toe order of searching
component data banks. Percentage printout is requested in order to
show the component purities in the product streams.

The NRTL coefficients listed in Table C1-3 are entered using the
NRTL statement after the thermodynamic METHOD statement. The
tray sizing calculations are requested with the TSIZE statement. Tray
spacing is defined as 450mm, and the default tray type of sieve
trays is used. The design flooding factor is determined by PRO/II as
a function of diameter.
Input Data File

TITLE PROB=C1, PROJ=APPBRIEFS, USER=SIMSCI, DATE=Nov_2008
DIME METRIC, PRES=MMHG
PRINT PERCENT
COMPONENT DATA
LIBID 1,METHANOL/ 2,WATER, BANK=SIMSCI, PROCESS
THERMO DATA
METHOD KVALUE=NRTL,ENTH=LIBR,PHI=IDEAL
KVALUE POYNTING=NO
NRTL(K) 1,2,,-121.89,,427.30,0.2835
STREAM DATA
PROP STREAM=1,PHAS=L,PRES=760,COMP=420/1010
NAME 1,FEED/2,METH PROD/3,WATER PROD
UNIT OPS DATA
COLUMN UID=N-1,NAME=MEOH DRYER
PARA TRAY=15
FEED 1, 8
PROD OVHD=2, 420, BTMS=3
PSPE TOP=760 $ pressure at top of column
COND TYPE=BUBB,PRES=760
HEAT 1,1/ 2,15
$ specify component 1 (methanol) recovery = 99.9%
$ specify methane purity in product as 96%
SPEC STREAM=2, COMP=1,RATE,RATIO,STREAM=1,VALUE=0.999
SPEC STREAM=2, COMP=1, FRACT, VALUE=0.96, ATOL=0.001
VARY HEAT=1,2
ESTI MODEL=CONV
TSIZE SPACING=450
END
Results
The column (as configured in the listing file above) meets the
required specifications. The condenser duty is -7.9644 Gcal/hr, and
the reboiler duty is 8.2297 Gcal/hr (see Heater Duties in the Col-
umn Summary section of the output listing below). The required
column diameter is 2.286 m (i.e.; the largest tray as selected in the
Tray Rating Calculation Output section of the results listing).

Conclusions
Although the specifications are met by this configuration, it is
worthwhile investigating different numbers of trays in the column
and different feed tray locations, as there may be a more cost effec-
tive solution.
Using more trays increases the capital cost, but the duties and,
therefore, the operating costs will be lower. The optimum design
always is a compromise between capital and operating costs.
Output
The Column Summary shows the required duties and the reflux to
the column. The L/D reflux ratio is the ratio of the liquid from tray
1 and the overhead product rate. In this example, it is 501.6/437.1 =
1.14756. The required diameter for each tray is shown on the tray
sizing output. This is followed by the rating results using the largest
calculated diameter.
The stream output shows the component rates and purities. The
water product is 99.96% pure.
UNIT 1, 'N-1', 'MEOH DRYER'
IN/OUT METHOD 6
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 65.1 760.00 501.6 437.1L -7.9644
2 66.0 760.00 496.5 938.7
3 67.2 760.00 490.0 933.5
4 68.7 760.00 482.0 927.0
5 70.6 760.00 472.6 919.0
6 73.0 760.00 462.6 909.7
7 75.7 760.00 453.5 899.6
8 78.2 760.00 1877.2 890.6 1430.0L
9 80.1 760.00 1862.8 884.2
10 84.4 760.00 1842.4 869.9
11 91.1 760.00 1832.4 849.4
12 96.5 760.00 1833.9 839.5
13 98.9 760.00 1836.2 841.0
14 99.7 760.00 1837.1 843.3
15R 99.9 760.00 844.2 992.9L 8.2297

TYPE STREAM PHASE
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 LIQUID 8 1.0000 1430.00 2.0870
PROD 2 LIQUID 1 437.06 0.5622
PROD 3 LIQUID 15 992.94 1.7900

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
Tray Sizing Calculation Output

UNIT 1, 'N-1', 'MEOH DRYER' (Cont)
TRAY SIZING MECHANICAL DATA

NUMBERS PASSES MM FACTOR TYPE MM
------- --------- ------ ------------ ------ ----- ------------
1 2 - 14 N/A 450.00 1.00 VALVE 381.00
TRAY SIZING RESULTS

M3/S M3/S M3/S DIA, MM FF DIA, MM FF DIA, MM FF
---- ----- ------- ----- ------- ---- ------- ---- ------- ---- --
2 7.241 0.00558 0.277 2192.0 78.0 2134. 79.9 2286. 71.5 1
3 7.223 0.00527 0.272 2173.4 78.0 2134. 78.5 2286. 70.3 1
4 7.202 0.00489 0.266 2149.7 78.0 2134. 76.7 2286. 68.7 1
5 7.178 0.00445 0.258 2120.5 78.0 1981. 86.2 2134. 77.0 1
6 7.154 0.00397 0.249 2086.6 78.0 1981. 83.3 2134. 74.5 1
7 7.132 0.00354 0.241 2052.6 78.0 1981. 80.5 2134. 72.0 1
8 7.119 0.01350 0.234 2142.8 78.0 2134. 78.6 2286. 69.1 1
9 7.090 0.01273 0.223 2098.6 78.0 1981. 86.9 2134. 75.6 1
10 7.053 0.01145 0.204 2021.4 78.0 1981. 81.0 2134. 70.5 1
11 7.073 0.01035 0.188 1953.0 78.0 1829. 88.3 1981. 75.9 1
12 7.132 0.00984 0.181 1924.7 78.0 1829. 85.8 1981. 73.6 1
13 7.167 0.00967 0.179 1916.4 78.0 1829. 85.0 1981. 73.0 1
14 7.179 0.00962 0.178 1914.1 78.0 1829. 84.8 1981. 72.8 1

Tray Rating Calculation Output

UNIT 1, 'N-1', 'MEOH DRYER' (Cont)
TRAY SELECTION FOR TRAY RATING
VALVE DIAMETER 47.625 MM

NUMBER MM OR CAPS MM MM MM
------- ------ -------- -- --------- ------ ------- ----------
1 8 2286. 1 492 176.377 N/A N/A
TRAY RATING AT SELECTED DESIGN TRAY
PRES WEIR DOWNCOMER

TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP RATE BACKUP, PCT
M3/S M3/S M3/S MM MM HG CM3/S/MM TRAY SPACING
---- ----- ------- ----- ---- ---- -- ------ -------- ------------
2 7.241 0.00558 0.277 2286. 72.6 1 5.616 4.572 37.66
3 7.223 0.00527 0.272 2286. 71.4 1 5.506 4.318 36.82
4 7.202 0.00489 0.266 2286. 69.9 1 5.374 4.009 35.78
5 7.178 0.00445 0.258 2286. 68.1 1 5.226 3.646 34.56
6 7.154 0.00397 0.249 2286. 66.0 1 5.073 3.256 33.22
7 7.132 0.00354 0.241 2286. 63.9 1 4.942 2.898 31.96
8 7.119 0.01350 0.234 2286. 69.1 1 5.919 11.070 41.69
9 7.090 0.01273 0.223 2286. 66.6 1 5.680 10.437 39.90
10 7.053 0.01145 0.204 2286. 62.2 1 5.303 9.388 37.03
11 7.073 0.01035 0.188 2286. 58.4 1 5.014 8.482 34.67
12 7.132 0.00984 0.181 2286. 56.9 1 4.905 8.065 33.65
13 7.167 0.00967 0.179 2286. 56.4 1 4.876 7.927 33.33
14 7.179 0.00962 0.178 2286. 56.3 1 4.868 7.887 33.24

Stream Component Flowrates

STREAM ID 1 2 3
NAME FEED METH PROD WATER PROD
THERMO ID NRTL01 NRTL01 NRTL01

1 METHANOL 420.0000 419.5799 0.4201
2 WATER 1010.0000 17.4821 992.5179
TEMPERATURE, C 78.1991 65.0882 99.9389

PRESSURE, MM HG 760.0000 760.0000 760.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
Stream Component Percentages

STREAM ID 1 2 3
NAME FEED METH PROD WATER PROD
FLUID MOLAR PERCENTS

1 METHANOL 29.3706 96.0001 0.0423
2 WATER 70.6294 3.9999 99.9577
TEMPERATURE, C 78.1991 65.0882 99.9389

PRESSURE, MM HG 760.0000 760.0000 760.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000

C2 - Ammonia-Acetone-Water Separation
A pure ammonia stream is to be produced from an ammonia-ace-
tone-water mixture. In addition, an acetone-rich side draw stream,
and a bottoms stream composed primarily of water are to be pro-
duced. The flowsheet for this problem is shown in Figure C2-1.
Figure C2-1: NAH Column
C2 - Ammonia-Acetone-Water Separation Chemical 4-95

Process Data
A listing of the feed stream information appears in Table C2-1, and
column configuration information is in Table C2-2.
Component Rate, kg-moles per hour
1 Ammonia 3702.77
2 Acetone 17.93
3 Water 126.55
Temperature, K 473.00
Pressure Feed tray pressure
Table C2-2: Column Configuration Information

Item Value
Condenser pressure 1555 kPa
Column top pressure 1565 kPa
Pressure drop per tray 1.5 kPa
Side draw liquid rate 18 kg-mole/hr
Reflux rate 2500 kg-mole/hr
Overhead Product Rate 3702 kg-mole/hr
Methods and Data

The ammonia-acetone-water system is non-ideal and the K-values
are calculated using the NRTL liquid-phase activity coefficient
method. The vapor phase is assumed ideal and no vapor phase asso-
ciations are taken into consideration. Library vapor phase and
enthalpy data are used.
Simulation Model
The separation column is modeled as an ordinary distillation col-
umn with 18 theoretical stages (including the condenser and
reboiler). The feed is introduced on stage 14 at the column pressure.
The overhead condenser is modeled as a total condenser with a bub-
ble point product. The side draw rate off stage 6 is set on the PROD-
UCT statement. Performance specifications are used for the
overhead product rate and the molar reflux flow rate. The reboiler
and condenser duties are variables calculated to meet these specifi-
4-96 Chemical C2 - Ammonia-Acetone-Water Separation

cations. The initial estimate generator MODEL=CONVENTIONAL is
used with a molal reflux rate estimate equal to the specified reflux
rate to generate the initial column temperature and vapor-liquid rate
profiles.
Input Data
SI dimensions are used for the simulation. The standard input
reprint summary is suppressed.
Input Data File

TITLE PROJ=AppBriefs, PROB=C2, USER=IPS, DATE=Nov_2008
DESC . Application Brief C2
DESC . Ammonia-Acetone-Water Separation
DIMENSION SI
PRINT INPUT=NONE
COMPONENT DATA
LIBID 1, AMMONIA/ 2, ACETONE/ 3, WATER &
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTH=PURE, TRANSPORT=PURE
STREAM DATA
PROP STRM=1,TEMP=473, &
COMP(M)= 1, 3702.77/ 2, 17.93/ 3, 126.55
NAME 1, FEED/ 2, BOTTOMS/ 3, OVERHEAD/ 4, SIDE DRAW
UNIT OPERATIONS
COLUMN UID=NAH, NAME=NAH TOWER
PARA TRAY=18, CHEM=20
FEED 1, 14, NOTSEPARATE
COND TYPE=BUBB, PRES=1555
PROD OVHD=3,3702,BTMS=2,LDRAW=4,6,18
DUTY 1, 1, -78/ 2, 18, 10
ESTI MODEL=CONV, REFLUX=2500
VARY DUTY=1, 2
PSPEC TOP=1565, DP=1.5
PRINT ITER=ESTI, PROP=PART, KVALUES, COMP=M
SPEC REFLUX, VALUE=2500
SPEC STREAM=3, RATE, VALUE=3702
END
Because the thermodynamic METHOD set declares methods for
transport properties, stream thermal conductivities, viscosities, and
surface tensions are reported as part of the stream summary.. Print

options in the column input request tray molar compositions and K-
value reports. The results listed below were extracted from the full
output report.

UNIT 1, 'NAH', 'NAH TOWER'
CHEM METHOD 11
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 313.3 1555.00 2500.0 3702.0L -116.1191
2 314.0 1565.00 2483.4 6202.0
3 318.6 1566.50 2355.5 6185.4
4 342.1 1568.00 2085.0 6057.5
5 374.1 1569.50 2123.7 5787.0
6 387.3 1571.00 2186.8 5825.7 18.0L
7 390.8 1572.50 2211.6 5906.8
8 391.7 1574.00 2215.3 5931.6
9 391.9 1575.50 2212.6 5935.3
10 391.9 1577.00 2206.6 5932.6
11 391.8 1578.50 2197.0 5926.6
12 391.8 1580.00 2182.0 5917.0
13 392.0 1581.50 2159.9 5902.0
14 393.5 1583.00 1881.0 5879.9 3847.3V
15 427.3 1584.50 1770.3 1753.8
16 438.3 1586.00 1542.3 1643.1
17 456.2 1587.50 1401.0 1415.0
18R 471.2 1589.00 1273.7 127.2L 44.7686
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 VAPOR 14 0.0000 3847.25 85.3670
PROD 3 LIQUID 1 3702.00 11.8190
PROD 4 LIQUID 6 18.00 0.2550
PROD 2 LIQUID 18 127.25 1.9424


UNIT 1, 'NAH', 'NAH TOWER' (Continued)
SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT NAH 1 MOL REFLUX 2.500E+03 2.500E+03
2 (ACTIVE) STRM 3 1 MOL RATE 3.702E+03 3.702E+03
REFLUX RATIOS
-------- REFLUX RATIOS --------
--------- --------- ---------
TRAY MOLAR COMPOSITIONS
TRAY 1 TRAY 2
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.99948 0.99998 0.98593 0.99948
2 ACETONE 5.2476E-04 1.9171E-05 0.01407 5.2476E-04
3 WATER 6.5492E-10 5.8947E-13 6.8269E-07 6.5492E-10
RATE, KG-MOL/HR 2500.00 0.00 2483.43 6202.00
TRAY 3 TRAY 4
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.86533 0.99404 0.46357 0.94731
2 ACETONE 0.13450 0.00596 0.53227 0.05262
3 WATER 1.6794E-04 2.7441E-07 0.00416 6.5295E-05
RATE, KG-MOL/HR 2355.54 6185.43 2085.03 6057.54
TRAY 5 TRAY 6
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.20537 0.80639 0.14338 0.70999
2 ACETONE 0.78336 0.19211 0.84062 0.28590
3 WATER 0.01127 0.00150 0.01599 0.00411
RATE, KG-MOL/HR 2123.75 5787.03 2186.78 5825.75

TRAY 7 TRAY 8
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.13062 0.67993 0.12929 0.67292
2 ACETONE 0.84933 0.31410 0.84598 0.31956
3 WATER 0.02004 0.00597 0.02473 0.00752
RATE, KG-MOL/HR 2211.60 5906.78 2215.35 5931.60
TRAY 9 TRAY 10
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.13125 0.67208 0.13497 0.67307
2 ACETONE 0.83780 0.31864 0.82516 0.31534
3 WATER 0.03095 0.00928 0.03987 0.01159
RATE, KG-MOL/HR 2212.59 5935.35 2206.57 5932.59
TRAY 11 TRAY 12
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.14089 0.67500 0.15089 0.67807
2 ACETONE 0.80537 0.31010 0.77117 0.30192
3 WATER 0.05374 0.01489 0.07793 0.02000
RATE, KG-MOL/HR 2197.02 5926.57 2181.98 5917.02
TRAY 13 TRAY 14
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.17032 0.68314 0.21251 0.69227
2 ACETONE 0.70105 0.28800 0.52023 0.26043
3 WATER 0.12863 0.02886 0.26726 0.04730
RATE, KG-MOL/HR 2159.92 5901.98 1881.01 5879.92
TRAY 15 TRAY 16
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.06022 0.22785 0.02124 0.06480
2 ACETONE 0.53492 0.55749 0.31095 0.57583
3 WATER 0.40486 0.21465 0.66781 0.35937
RATE, KG-MOL/HR 1770.31 1753.76 1542.28 1643.06

TRAY 17 TRAY 18
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 AMMONIA 0.00551 0.02306 0.00104 0.00596
2 ACETONE 0.05814 0.33830 0.00673 0.06328
3 WATER 0.93635 0.63864 0.99224 0.93077
RATE, KG-MOL/HR 1400.95 1415.03 127.25 1273.70
Tray Transport Properties

TRAY - THERMAL CONDUCTIVITY - ------ VISCOSITY ------- -- SURFACE --
W/M-K PAS TENSION
LIQUID VAPOR LIQUID VAPOR N/M
---- ----------- ----------- ----------- ----------- -------------
1 4.4117E-01 0.0000E+00 1.1331E-04 0.0000E+00 1.6809E-02
2 3.8246E-01 2.6713E-02 1.1408E-04 1.0703E-05 1.6713E-02
3 2.3218E-01 2.7148E-02 1.2291E-04 1.0843E-05 1.6299E-02
4 1.5615E-01 2.8942E-02 1.4585E-04 1.1443E-05 1.4633E-02
5 1.4569E-01 2.9732E-02 1.4562E-04 1.1854E-05 1.2495E-02
6 1.4419E-01 2.9340E-02 1.4184E-04 1.1869E-05 1.1635E-02
7 1.4399E-01 2.9174E-02 1.4072E-04 1.1864E-05 1.1509E-02
8 1.4408E-01 2.9151E-02 1.4044E-04 1.1868E-05 1.1620E-02
9 1.4428E-01 2.9175E-02 1.4037E-04 1.1877E-05 1.1843E-02
10 1.4461E-01 2.9220E-02 1.4037E-04 1.1890E-05 1.2184E-02
11 1.4514E-01 2.9289E-02 1.4040E-04 1.1910E-05 1.2720E-02
12 1.4611E-01 2.9402E-02 1.4045E-04 1.1943E-05 1.3652E-02
13 1.4835E-01 2.9619E-02 1.4058E-04 1.2006E-05 1.5595E-02
14 1.5649E-01 3.0176E-02 1.4130E-04 1.2169E-05 2.0870E-02
15 1.5742E-01 2.6888E-02 1.3875E-04 1.2039E-05 2.3423E-02
16 1.8030E-01 2.6347E-02 1.4603E-04 1.2284E-05 3.2250E-02
17 3.1290E-01 2.9315E-02 1.4330E-04 1.3746E-05 3.9034E-02
18 5.5176E-01 3.2776E-02 1.3492E-04 1.5811E-05 3.7854E-02

Tray K-Values
---------- ---------- ---------- ----------
1 AMMONIA 1.0005E+00 1.0137E+00 1.1487E+00 2.0435E+00
2 ACETONE 3.6532E-02 3.7292E-02 4.4341E-02 9.8864E-02
3 WATER 9.0007E-04 9.5932E-04 1.6340E-03 1.5702E-02
TEMPERATURE, DEG K 313.293 314.000 318.637 342.094
PRESSURE, KPA 1555.000 1565.000 1566.500 1568.000

---------- ---------- ---------- ----------
1 AMMONIA 3.9265E+00 4.9517E+00 5.2052E+00 5.2045E+00
2 ACETONE 2.4524E-01 3.4011E-01 3.6982E-01 3.7773E-01
3 WATER 1.3299E-01 2.5678E-01 2.9789E-01 3.0415E-01
PRESSURE, KPA 1569.500 1571.000 1572.500 1574.000

---------- ---------- ---------- ----------
1 AMMONIA 5.1208E+00 4.9868E+00 4.7911E+00 4.4937E+00
2 ACETONE 3.8032E-01 3.8216E-01 3.8504E-01 3.9151E-01
3 WATER 2.9979E-01 2.9073E-01 2.7714E-01 2.5668E-01
PRESSURE, KPA 1575.500 1577.000 1578.500 1580.000

---------- ---------- ---------- ----------
1 AMMONIA 4.0110E+00 3.2576E+00 3.7838E+00 3.0504E+00
2 ACETONE 4.1081E-01 5.0060E-01 1.0422E+00 1.8518E+00
3 WATER 2.2437E-01 1.7698E-01 5.3019E-01 5.3814E-01
PRESSURE, KPA 1581.500 1583.000 1584.500 1586.000
COMPONENT TRAY 17 TRAY 18

---------- ----------
1 AMMONIA 4.1865E+00 5.7494E+00
2 ACETONE 5.8185E+00 9.4058E+00
3 WATER 6.8204E-01 9.3805E-01
TEMPERATURE, DEG K 456.181 471.233

PRESSURE, KPA 1587.500 1589.000

C3 - Water Removal from MEK-Toluene

It is desired to remove the water in a MEK-Toluene solution in
order to a provide a product with a dryness of 500 ppm by weight.
Process Data
The flowsheet for this problem is shown in Figure C3-1.
Figure C3-1: MEK-Water-Toluene Column
C3 - Water Removal from MEK-Toluene Chemical 4-103

The feed stream information is given in Table C3-1, and the process
information in Table C3-2.
Feed Rate, lb-
Component mole/hour
MEK 27.4
Water 2.22
Toluene 135.49
Table C3-2: Process Information

Stream Pressure, mmHg Temperature, F
Feed 760 190
Water Product 760
Dry Product 760
Methods and Data

The SIMSCI databank does not contain all the NRTL binary inter-
action parameters needed for the components present in this system.
The ALCOHOL databank, however, does contain these binary
parameters and is therefore designated as the primary databank.
Simulation Model
umn with 21 theoretical trays (including a bubble point condenser
and reboiler). The feed is introduced on stage 6. The presence of
two liquid phases in the separation column requires that the CHEM-
DIST algorithm be used . VLLE thermodynamics is chosen initially
only for the condenser. However, the VLLECHECK statement is
used to allow for a switch from VLE to VLLE thermodynamics,
should the presence of two liquid phases be detected on any of the
subsequent stages. The water-rich phase from the condenser is
totally withdrawn, and all of the toluene-rich phase is returned as
reflux to the column. A performance specification is used to set the
toluene-rich phase reflux rate equal to zero, the condenser duty
being the variable calculated to meet this specification. The reboiler
duty is used as the variable calculated to meet the specification on
the water content of the dry bottoms product. The initial estimate
4-104 Chemical C3 - Water Removal from MEK-Toluene

generator MODEL=CHEM is utilized with tray temperature esti-
mates. The number of iterations allowed for the CHEMDIST algo-
rithm is increased to 30.
Input Data
English units are used for the simulation, with stream component
weight percentages selected for the output. Note how the total
reflux specification on the toluene-rich liquid phase (Note 1) and
how the column bottom product specifications are met (Note 2).
The print option for the column tray molar compositions is
selected.Two separate NRTL thermodynamic sets (VLE and VLLE)
are selected, with the VLLECHECK statement used to switch trays
from VLE to VLLE if necessary (Note 3).
Input Data File

TITLE PROJECT=APPBRIEFS,PROBLEM=C3, &
USER=SIMSCI, DATE=JUL2007
DESC MEK-Water-Toluene Column with Decanter
DIMEN ENGLISH, PRES=MMHG
PRINT RATE=M, PERCENT=W, STREAM=ALL, INPUT=ALL
COMPONENT DATA
LIBID 1,MEK/ 2,H2O/ 3,TOLUENE, BANK = SIMSCI, PROCESS
$ Use BANK=PROCESS, SIMSCI to match the
$ default order prior to V8.0
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=NRTL, ENTH(V)=SRKM, ENTH(L)=IDEAL, &
DENS(V)=SRKM, DENS(L)=IDEAL, SET=SET01, DEFAULT
KVALUE(VLE) BANK= ALCOHOL, SIMSCI
METHOD KVALUE(VLLE)=NRTL, ENTH(V)=SRKM, ENTH(L)=IDEAL, &

DENS(V)=SRKM, DENS(L)=IDEA, L1KEY=2, L2KEY=3, &
SET=SET02
KVALUE(VLLE) BANK= ALCOHOL, SIMSCI
STREAM DATA
PROP STREAM=3, TEMP=190, PRES=760, PHASE=M, &
COMP(M)= 1,27.4/ 2,2.22/ 3,135.49
NAME 3,FEED/ 7,WATER LAYER/ 5,DRY PRODUCT
UNIT OPERATIONS
COLUMN UID=W-10,NAME=DEHYD COL

PARAM TRAY=21, CHEMDIST=30, CUTOFF=0.1, &
ERRINC=150, DAMP=0.8
FEED 3,6,NOTSEP

PROD OVHD(L1)=7,2.0, BTMS=5,162.7
COND TYPE=BUBB, PRESS=760
DUTY 1,1/2,21,20
PSPEC TOP=760
PRINT PROP=PART, COMP=M, ITER=PART, XYDATA, KVALUE
ESTI MODEL=CHEM, CTEMP=160, TTEMP=170, &
BTEMP=200, RTEMP=210
SPEC COLUMN=W-10, PHASE=L1, REFL(M), & $ Note 1
VALUE=0
SPEC STREAM=5, PPM(W), COMP=2, & $ Note 2
VALUE=500, ATOL=0.01
VARY DUTY=1,2
METHOD SET=SET02,1/ SET01,21
VLLECHECK CHECK=ON, SET=SET02 $ Note 3
END
Results
The reboiler duty (heat input) is 0.2490 MM Btu/hr, while the con-
denser duty (heat removed) is 0.1688 MM Btu/hr. Two liquid
phases are found to exist on the condenser and the next four lower
trays.
Output
The following data were extracted from the PRO/II output.
Column Summary
UNIT 1, 'W-10', 'DEHYD COL'
CHEM METHOD 31
COLUMN SUMMARY
DEG F MM HG LB-MOL/HR MM BTU/HR
------ ------- -------- -------- -------- --------- --------- ------------
1C* 169.5 760.00 8.9 1.9L -0.1688
2* 169.7 760.00 8.9 10.8
3* 170.2 760.00 8.8 10.7
4* 171.3 760.00 8.6 10.7
5* 173.7 760.00 8.5 10.5
6 181.2 760.00 168.1 10.4 165.1M
7 181.2 760.00 168.1 4.9
8 181.2 760.00 168.1 4.9
9 181.2 760.00 168.1 4.9
10 181.2 760.00 168.1 4.9

11 181.2 760.00 168.1 4.9
12 181.2 760.00 168.1 4.9
13 181.2 760.00 168.1 4.9
14 181.2 760.00 168.1 4.9
15 181.2 760.00 168.1 4.9
16 181.3 760.00 168.1 4.9
17 181.3 760.00 168.2 4.9
18 181.8 760.00 168.4 5.0
19 183.9 760.00 169.4 5.2
20 191.8 760.00 173.1 6.1
21R 206.2 760.00 9.9 163.2L 0.2490
* Trays with two liquid phases
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 3 MIXED 6 0.9883 165.11 1.0333
PROD 7 L1OVHD 1 1.89 0.0049
PROD 5 LIQUID 21 163.22 1.1087

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT W-10 1 MOL REFLUX 0.000E+00 0.000E+00
2 (ACTIVE) STRM 5 21 2 WT PPM 5.000E+02 5.000E+02
REFLUX RATIOS
-------- REFLUX RATIOS --------

--------- --------- ---------

Unit 1, 'W-10', 'DEHYD COL' (Cont)

Tray Molar Compositions
TRAY 1 TRAY 2
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.48518 0.50544 0.54195 0.48518
2 H2O 0.39474 0.39198 0.28022 0.39474
3 TOLUENE 0.12008 0.10258 0.17783 0.12008
RATE, LB-MOL/HR 8.90 0.00 8.85 10.79
TRAY 3 TRAY 4
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.47868 0.45319 0.37577 0.40047
2 H2O 0.29357 0.40024 0.32209 0.41211
3 TOLUENE 0.22775 0.14658 0.30214 0.18742
RATE, LB-MOL/HR 8.78 10.74 8.64 10.66
TRAY 5 TRAY 6
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.25654 0.31500 0.16888 0.21665
2 H2O 0.31357 0.43705 0.01501 0.43160
3 TOLUENE 0.42989 0.24794 0.81611 0.35175
RATE, LB-MOL/HR 8.50 10.53 168.14 10.39
TRAY 7 TRAY 8
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16888 0.21665 0.16888 0.21665
2 H2O 0.01501 0.43160 0.01501 0.43160
3 TOLUENE 0.81611 0.35175 0.81611 0.35175
RATE, LB-MOL/HR 168.14 4.92 168.14 4.92
TRAY 9 TRAY 10
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16888 0.21665 0.16888 0.21665
2 H2O 0.01501 0.43160 0.01501 0.43160
3 TOLUENE 0.81611 0.35175 0.81611 0.35175
RATE, LB-MOL/HR 168.14 4.92 168.14 4.92


TRAY 11 TRAY 12
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16888 0.21665 0.16888 0.21665
2 H2O 0.01501 0.43160 0.01501 0.43160
3 TOLUENE 0.81611 0.35175 0.81611 0.35175
RATE, LB-MOL/HR 168.14 4.92 168.14 4.92
TRAY 13 TRAY 14
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16888 0.21665 0.16888 0.21665
2 H2O 0.01501 0.43160 0.01501 0.43159
3 TOLUENE 0.81611 0.35175 0.81611 0.35176
RATE, LB-MOL/HR 168.14 4.92 168.14 4.92
TRAY 15 TRAY 16
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16888 0.21667 0.16890 0.21675
2 H2O 0.01501 0.43156 0.01500 0.43139
3 TOLUENE 0.81611 0.35177 0.81611 0.35187
RATE, LB-MOL/HR 168.14 4.92 168.15 4.92
TRAY 17 TRAY 18
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.16897 0.21716 0.16937 0.21936
2 H2O 0.01494 0.43047 0.01466 0.42556
3 TOLUENE 0.81608 0.35237 0.81597 0.35508
RATE, LB-MOL/HR 168.18 4.93 168.38 4.96
TRAY 19 TRAY 20
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 MEK 0.17131 0.23053 0.17689 0.27399
2 H2O 0.01329 0.40065 0.00870 0.30101
3 TOLUENE 0.81540 0.36882 0.81441 0.42499
RATE, LB-MOL/HR 169.37 5.16 173.12 6.14
TRAY 21
COMPONENT X Y
---------- ----------
1 MEK 0.16744 0.33266
2 H2O 0.00246 0.11160
3 TOLUENE 0.83010 0.55573
RATE, LB-MOL/HR 163.22 9.90


Two Liquid Phase Tray Rates and Compositions
TRAY 1
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
---------- ---------- ---------- ----------
1 MEK 0.0700 5.1633 0.037115 0.580201
2 H2O 1.8170 2.4408 0.962781 0.274276
3 TOLUENE 1.968E-04 1.2950 0.000104 0.145522
TOTAL 1.8873 8.8992

FRACTION 0.174967 0.825033
TRAY 2
---------- ---------- ---------- ----------
1 MEK 0.0149 4.7835 0.034255 0.568275
2 H2O 0.4214 2.0596 0.965636 0.244684
3 TOLUENE 4.786E-05 1.5744 0.000110 0.187041
TOTAL 0.4364 8.4175

FRACTION 0.049292 0.950708
TRAY 3
---------- ---------- ---------- ----------
1 MEK 0.0316 4.1689 0.030107 0.539699
2 H2O 1.0189 1.5572 0.969779 0.201593
3 TOLUENE 1.195E-04 1.9984 0.000114 0.258708
TOTAL 1.0507 7.7244

FRACTION 0.119735 0.880265
TRAY 4
---------- ---------- ---------- ----------
1 MEK 0.0451 3.2007 0.024158 0.472813
2 H2O 1.8229 0.9592 0.975729 0.141694
3 TOLUENE 2.115E-04 2.6096 0.000113 0.385492
TOTAL 1.8683 6.7695

FRACTION 0.216291 0.783709


TRAY 5
---------- ---------- ---------- ----------
1 MEK 0.0366 2.1443 0.016427 0.341839
2 H2O 2.1914 0.4743 0.983469 0.075606
3 TOLUENE 2.328E-04 3.6543 0.000104 0.582555
TOTAL 2.2283 6.2729

FRACTION 0.262114 0.737886
Stream Weight Component Percents

STREAM ID 3 5 7
NAME FEED DRY PRODUCT WATER LAYER
PHASE MIXED LIQUID LIQUID
THERMO ID SET01 SET01 SET02

1 MEK 13.6259 13.6266 13.3608
2 H2O 0.2758 0.0500 86.5912
3 TOLUENE 86.0983 86.3234 0.0480
TOTAL RATE, LB/HR 14499.8423 14462.0060 37.8033
TEMPERATURE, F 190.0000 206.1511 169.5123

PRESSURE, MM HG 760.0000 760.0000 760.0000
ENTHALPY, MM BTU/HR 1.0333 1.1087 4.8742E-03
WEIGHT FRAC VAPOR 8.2879E-03 0.0000 0.0000
WEIGHT FRAC LIQUID 0.9917 1.0000 1.0000


STREAM ID 3 5 7
NAME FEED DRY PRODUCT WATER LAYER
PHASE MIXED LIQUID LIQUID

1 MEK 27.4000 27.3299 0.0700
2 H2O 2.2200 0.4014 1.8170
3 TOLUENE 135.4900 135.4898 1.9683E-04
TEMPERATURE, F 190.0000 206.1511 169.5123

PRESSURE, MM HG 760.0000 760.0000 760.0000
ENTHALPY, MM BTU/HR 1.0333 1.1087 4.8742E-03
MOLE FRAC VAPOR 0.0117 0.0000 0.0000
MOLE FRAC LIQUID 0.9883 1.0000 1.0000

C4 - Azeotropic Separation
Isobutanol is being separated from acetic acid in a distillation col-
umn. The isobutanol product is removed overhead and the acetic
acid is taken as the bottoms. To enhance the separation, water is fed
onto the top tray and distributes between the two main components.
The flowsheet is shown in Figure C4-1.
Figure C4-1: Azeotropic Tower
C4 - Azeotropic Separation Chemical 4-113

An increase in the throughput of the column has been proposed and
you must determine its feasibility. You need to establish whether or
not the condenser and reboiler have sufficient capacity to provide
the required duties, and whetheror not the column can handle the
increased flow rates.
ProcessData
The column shown in Figure C4-1 has 10 theoretical stages includ-
ing the reboiler and bubble point condenser. There is a conventional
reflux to the column from the condenser, and the water feed is
added on the top tray. The details of the new feed are shown in
Table C4-1.
Primary Feed, Water Reflux,
Component lb/hr lb/hr
Isobutanol 525 --
Acetic Acid 2095 --
Water -- 900
Temperature, F 292 120
Pressure, psig 26.1 24.3
Methods and Data

Vapor pressures and enthalpy data are taken from the PRO/II
library. Because of the low pressure, the vapor phase can be treated
as ideal.
The reliability of the simulation results depends entirely on the
accuracy of the measured data used to derive the activity coeffi-
cients. Coefficients may be found in the open literature or devel-
oped by regressing experimental equilibrium data onto a liquid
activity equation.
Coefficients have been developed for the van Laar liquid activity
method to represent the liquid phase non-ideality. The coefficients
were regressed from experimental data using SimSci's REGRESS
program (described in the Thermo Data Manager User Guide).
4-114 Chemical C4 - Azeotropic Separation

Simulation Model
The column model is configured to meet two operating specifica-
tions:
The reflux ratio is maintained at the current value of 10:1.
The overhead weight rate is specified as 894 lb/hr.
The condenser and reboiler duties are allowed to be varied to meet
these specifications.
The effect of the increased flow rates in the column will be seen in
the tray flooding factors and the downcomer backups. These param-
eters are calculated from the tray configuration by the tray rating
option.
Input Data
This simulation uses the default English set of units. The PRINT
option requests output of weight flow rates because the feed and
specified product rates are in lb/hr.
The unit is modeled as a conventional column and uses the default
IO solution method. The tray rating calculations are specified with
the TRATE statement which supplies the mechanical details of the
trays.
The CHEMDIST algorithm can be used in place of the IO. This
method solves more difficult, non-ideal applications, although run
times may be longer. Both algorithms produce virtually identical
results. The input listing follows.

Input Data File

TITLE PROJECT=C4, PROBLEM=APPBRIEFS, USER=SIMSCI
PRINT INPUT=ALL, RATE=M,W, PERCENT=M,W
COMPONENT DATA
LIBID 1,IBUTANOL/ 2,HOAC/ 3,H2O &
,BANK = SIMSCI, PROCESS
THERMO DATA
METHOD KVALUE=VANLAAR, ENTHALPY=LIBRARY, &
DENS(L)=IDEAL, DENS(V)=IDEAL
KVALUE
VANLAAR 1,2,-1.16,-0.463/1,3,3.63,1.14/2,3,.130,0.618
STREAM DATA
PROP STREAM=1, TEMP=292, PRES=26.1, PHASE=L, &
COMP(W)=525/2095
PROP STREAM=2, TEMP=120, PRES=24.3, PHASE=L, &
COMP(W)=3,900
NAME 1,FEED/ 2,SEC FEED/ 3,OVERHEAD/ 4,BOTTOMS
COLUMN UID=C-47,NAME=AZEO COL
FEED 1,8/2,2
PARA TRAY=10
PSPEC TOP=23.7,DPCOL=2.4
COND TYPE=BUBB,PRES=20.7
HEAT 1,1/2,10
SPEC RRATIO,VALUE=10
SPEC STREAM=3,RATE(W),VALUE=894
VARY HEAT=1,2
ESTI MODEL=CONV,RRATIO=10
TRATE VALVE, SPACING=22, DIAM=28, NUMBER=55, &
DIAM(VALVE)=1.875, WEIR=1.8, &
DCC=1.4, DCW=2.15
END
Results
The column produces an acetic acid/water product from the bottom
of the column (stream 4) that contains about 0.015 weight % isobu-
tanol. The overhead isobutanol product (stream 3) contains about
0.6 weight % acetic acid. See Stream Weight Component Percents
in the output report listing.
The condenser and reboiler duties are approximately -5.35 and 4.91
MM Btu/hr respectively (see the Column Summary section of the
output report). The highest flooding factor is 80.7% on tray 8. The

largest downcomer backup is less than 33% of the tray spacing
(aalso on tray 8). See the Tray Rating Results section of the output
report.
Conclusions
The column can handle the increased throughput as long as the cal-
culated duties are available. The increased internal flow rates will
not cause flooding.
Output
The column summary shows the duties and the liquid and vapor
rates. The tray vapor and liquid rate output gives the densities and
the volume and weight rates.
The tray rating output shows the calculated loads, flooding factors,
pressure drops, and downcomer backups for each tray in the col-
umn.
The stream output shows the feed and product compositions and
conditions.

Unit 1, 'C-47', 'AZEO COL'
IN/OUT METHOD 5
COLUMN SUMMARY

------ ------- -------- -------- -------- --------- --------- ------------
1C 210.6 20.70 271.9 27.2L -5.3534
2 222.1 23.70 334.1 299.1 50.0L
3 236.1 24.00 340.8 311.3
4 238.2 24.30 344.0 318.0
5 239.6 24.60 348.9 321.3
6 241.5 24.90 357.1 326.1
7 244.2 25.20 370.4 334.3
8 248.0 25.50 388.0 347.7 42.0V
9 251.9 25.80 403.9 323.2
10R 256.0 26.10 339.1 64.7L 4.9062

Column Summary Output (Cont)

Unit 1, 'C-47', 'AZEO COL'
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 2 LIQUID 2 1.0000 49.96 0.0793
FEED 1 VAPOR 8 0.0000 41.97 0.8656
PROD 3 LIQUID 1 27.19 0.1267
PROD 4 LIQUID 10 64.73 0.3708

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT C-47 1 MOL RRATIO 1.000E+01 1.000E+01
2 (ACTIVE) STRM 3 1 WT RATE 8.940E+02 8.940E+02
REFLUX RATIOS
-------- REFLUX RATIOS --------
--------- --------- ---------
REFLUX / TOTAL FEED 2.9581 2.5398 2.8792

Column Rates and Densities

Unit 1, 'C-47', 'AZEO COL' (Cont)
TRAY NET VAPOR RATES AND DENSITIES

--------------- RATES ---------------
TRAY MW ACTUAL DENS Z FROM STANDARD ACTUAL
LB/FT3 DENSITY M LB/HR M FT3/HR M FT3/HR
---- -------- ------------ -------- ----------- ----------- -----------
2 32.876 0.10649 1.00000 9.834 113.512 92.342
3 20.998 0.06749 1.00000 6.537 118.144 96.862
4 20.498 0.06651 1.00000 6.519 120.677 98.009
5 21.309 0.06985 1.00000 6.846 121.913 98.006
6 22.756 0.07530 1.00000 7.422 123.768 98.564
7 25.142 0.08388 1.00000 8.405 126.866 100.207
8 28.884 0.09699 1.00000 10.042 131.941 103.544
9 30.702 0.10373 1.00000 9.924 122.663 95.673
10 34.790 0.11823 1.00000 11.799 128.700 99.798
TRAY NET LIQUID RATES AND DENSITIES
--------------- RATES ---------------

TRAY MW ACTUAL DENS Z FROM STD LIQ ACTUAL
LB/FT3 DENSITY M LB/HR FT3/HR GAL/MIN
---- -------- ------------ -------- ----------- ----------- -----------
1 32.876 50.594 0.00187 8.940 163.493 22.030
2 19.585 58.289 0.00109 6.543 106.412 13.995
3 19.147 59.060 0.00104 6.525 104.364 13.773
4 19.917 59.045 0.00109 6.852 109.223 14.468
5 21.289 58.987 0.00118 7.428 117.901 15.700
6 23.556 58.900 0.00132 8.411 132.717 17.804
7 27.125 58.770 0.00154 10.048 157.386 21.317
8 32.348 58.580 0.00185 12.550 195.024 26.710
9 35.716 58.447 0.00206 14.425 223.122 30.770
10 40.566 58.248 0.00237 2.626 40.436 5.621

Tray Rating Results

Unit 1, 'C-47', 'AZEO COL' (Cont)
TRAY RATING MECHANICAL DATA
SECTION TRAY DIAM TRAY SPACE SF ------- TRAY --------

NUMBERS IN PASSES IN TYPE METAL THK, GA
------- --------- ---- ------ ----- ---- ----- ----- -------
1 2 - 9 28. 1 22. 1.00 V1 SS 14.000
SECTION NO VALVES VALVE CAP TO SIEVE UNIT ++ WEIR HT DC CLEAR

OR CAPS THK,GA CAP, IN PCT DIA, IN IN IN
------- --------- ------ ------- ----- ------- ------- --------
1 55 16.000 N/A N/A 1.875 1.800 1.400
++ DIAMETER OF VALVES, SIEVE HOLES, OR BUBBLE CAPS
SECTION DOWNCOMER WIDTHS, IN SLOPED DC WIDTHS, IN

SIDE CENTER OFF-CTR OFF-SIDE SIDE CENTER OFF-CTR OFF-SIDE
------- ----- ------ ------- -------- ----- ------ ------- --------
1 2.15 N/A N/A N/A N/A N/A N/A N/A
TRAY RATING RESULTS

PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, PCT
---- ----- ------ ----- ------ ---- ------ -------- ------------
2 26.91 13.99 0.916 28.0 59.7 0.090 0.9 22.23
3 27.22 13.77 0.914 28.0 59.7 0.091 0.9 22.16
4 27.22 14.47 0.937 28.0 60.8 0.094 1.0 22.65
5 27.38 15.70 0.979 28.0 62.8 0.100 1.1 23.56
6 27.84 17.80 1.051 28.0 66.3 0.110 1.2 25.19
7 28.76 21.32 1.169 28.0 72.2 0.129 1.4 28.05
8 30.22 26.71 1.342 28.0 80.7 0.159 1.8 32.67
9 27.72 30.77 1.248 28.0 75.4 0.145 2.1 31.29

Stream Weight Flow Rates

STREAM ID 1 2 3 4
NAME FEED SEC FEED OVERHEAD BOTTOMS
THERMO ID VANL01 VANL01 VANL01 VANL01
FLUID RATES, LB/HR

1 IBUTANOL 525.0000 0.0000 524.9617 0.0383
2 HOAC 2095.0000 0.0000 9.6201 2085.3799
3 H2O 0.0000 900.0000 359.4134 540.5866
TOTAL RATE, LB/HR 2620.0000 900.0000 893.9952 2626.0048
TEMPERATURE, F 292.0000 120.0000 210.5610 256.0032

PRESSURE, PSIA 26.1000 24.3000 20.7000 26.1000
Stream Weight Component Percents

STREAM ID 1 2 3 4
NAME FEED SEC FEED OVERHEAD BOTTOMS
THERMO ID VANL01 VANL01 VANL01 VANL01

1 IBUTANOL 20.0382 0.0000 58.7209 1.4593E-03
2 HOAC 79.9618 0.0000 1.0761 79.4126
3 H2O 0.0000 100.0000 40.2031 20.5859
TOTAL RATE, LB/HR 2620.0000 900.0000 893.9952 2626.0048
TEMPERATURE, F 292.0000 120.0000 210.5610 256.0032

PRESSURE, PSIA 26.1000 24.3000 20.7000 26.1000


C5 - Phenol Extraction Plant

Benzene is used to extract phenol from an aqueous solution. The
flowsheet consists of a liquid-liquid extraction column to extract the
phenol and a rerun tower to recover the benzene. You wish to model
the operation based on 99.5 % pure phenol recovery.
Process Data
The process flowsheet for the phenol extraction system is shown in
Figure C5-1on the next page.
After extraction the spent solvent is heated and depressured through
a let-down valve. It is then distilled to recover 99.5% pure phenol as
a bottom product and a purified benzene stream for recycle. A list
ing of feed stream information appears in Table C5-1. .
Component Rate, lb-moles/hr
1 Benzene 0.1001
2 Phenol 1.9059
3 Water 160.6000
4 Benzoic Acid 0.0002
Temperature, F 86.0
Pressure, psia 21.3
Methods and Data

K-values are computed using the NRTL liquid activity coefficient
method for both VLLE and VLE systems. Missing binary interac-
tion parameters are supplied using the UNIFAC group contribution
method. The VLLE system is used for the entire flowsheet except
for the rerun column, where the VLE system is used. Ideal vapor
phase fugacities are assumed and pure component transport proper-
ties are used.
C5 - Phenol Extraction Plant Chemical 4-123

Figure C5-1: Phenol Extraction Flowsheet
4-124 Chemical C5 - Phenol Extraction Plant

Simulation Model
The phenol extraction process flowsheet shown in Figure C5-1 is
modelled by the PRO/II key word input listing shown on the fol-
lowing pages. The liquid-liquid extractor is modeled as a column
with four theoretical stages. The aqueous feed is introduced on the
top stage and benzene solvent on the bottom stage.
The heat exchanger heats the spent solvent stream to 200 F in order
to reduce the duty of the rerun column reboiler.
The rerun column is modeled as a conventional distillation column
with 10 theoretical stages, (a condenser and a reboiler in addition to
8 trays in the column proper). Both condenser and reboiler duties
are varied to achieve the specified reflux ratio and phenol recovery
purity.
Calculator C1 determines the amount of benzene carried over from
the recycle stream. The excess is discharged from splitter S1 to
maintain the overall mass balance.
Input Data
The phenol recovery specification is met by varying the reboiler
duty (Note 1) and the VLE system is specified using the METHOD
keyword (Note 2).
Input Data File

TITLE PROJECT=APPBRIEFS, PROBLEM=C5,USER=SIMSCI
DESC Phenol Waste Treatment Plant
DIMEN ENGLISH, TIME=HR, WT=LB, TEMP=F, PRES=PSIA, &
ENER=BTU, WORK=HP, LIQV=CUFT, VAPV=CUFT, VISC=CP, &
COND=BTUH, SURF=DYNE, PBAS=14.6959, XDEN=API
PRINT INPUT=ALL
*
COMPONENT DATA
LIBID 1,BENZENE/ 2,PHOH/ 3,H2O/ 4,BENZOIC &
THERMODYNAMIC DATA
METHOD SYSTEM(VLLE)=NRTL, TRANS=PURE, PHI=IDEA, &
SET=SET01, DEFAULT
KVALUE(VLE) FILL=UNIF
KVALUE(LLE) FILL=UNIF
METHOD SYSTEM(VLE)=NRTL, TRANS=PURE, PHI=IDEA, SET=SET02
KVALUE(VLE) FILL=UNIF

STREAM DATA
PROP STREAM=1, TEMP=86, PRES=21.3, PHASE=M, &
RATE(M)=162.6, NORMALIZE &
COMP(M)=1,0.1001/ 2,1.9059/ 3,160.6/ 4,0.0002
PROP STREAM=8, TEMP=86, PRES=21.3, PHASE=M, &
RATE(M)=60, NORMALIZE, &
COMP(M)=1,218.898/ 2,0.0022/ 3,1.1
NAME 1,WASTE WATER/ 8,SOLVENT
UNIT OPERATIONS
COLUMN UID=T-1, NAME=LLEX
PARAM TRAY=4, LLEX=30
FEED 1,1/ 8,4
PROD OVHD=3 , BTMS=2,162
PSPEC PTOP=60, DPCOL=10
TOLERANCE LLE=0.0005, COMP=0.0005
HX UID=HX-1, NAME=PREHEATER
COLD FEED=3, L=4, DP=5
OPER CTEMP=200
UTIL STEAM, TSAT(C)=200
VALVE UID=V-1,NAME=LET-DOWN
FEED 4
PROD V=5
OPER PRES=20
COLUMN UID=T-2,NAME=RERUN COLUMN

PARAM TRAY=10, IO=50
FEED 5,5, SEPA
PROD OVHD=6,55, BTMS=7
COND TYPE=TFIX, PRESS=12, TEMP=100
DUTY 1,1/ 2,10
PSPEC TOP=15, DPCOL=5
SPEC COLUMN=T-2, RRATIO, VALUE=5.0
SPEC STREAM=7, COMP=2, FRACTION, VALUE=0.995
VARY DUTY=1,2
METHOD SET=SET02
PUMP UID=P-1, NAME=PUMP
FEED 6
PROD L=6X
OPER PRESS=70,EFF=65
CALC UID=C-1, NAME=CALCULATOR
DEFINE P(1), AS, STREAM=1, RATE, COMP=1
PROCEDURE
R(1)=P(1)-P(2)-P(3)
RETURN

SPLITTER UID=S-1,NAME=DISCHARGE
FEED 6X
PROD L=8,L=8B
SPEC STREAM=8B, COMP=1, RATE, RATIO, &
CALC=C-1, R(1), VALUE=1
END
Results
The flowsheet solves in three recycle trials. The liquid-liquid
extraction column removes 99.5% of the phenol. The recycled rate
converges to 60.10 lbmole/hr of solvent to the extraction column.
The rerun column can purify the spent benzene solvent to 99.33%
purity for recycling and recover 99.5% pure phenol in the bottom
product stream.
Liquid-liquid Extraction Column Output

UNIT 1, 'T-1', 'LLEX'
LLEX METHOD 7
COLUMN SUMMARY

TRAY TEMP PRESSURE L2 L1 FEED PRODUCT DUTIES
------ ------- -------- -------- -------- --------- --------- ------------
1 87.2 60.00 161.1 162.6L 62.0L
2 88.9 63.33 160.7 60.5
3 91.5 66.67 160.6 60.1
4 95.3 70.00 60.0 60.1L 160.7H
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 LIQUID 1 1.0000 162.60 0.1616
FEED 8 LIQUID 4 1.0000 60.10 0.1331
PROD 3 L1OVHD 1 62.03 0.1111
PROD 2 LIQUID 4 160.68 0.1836


Heat Exchanger Output

UNIT 2, 'HX-1', 'PREHEATER'

LMTD, F 244.084
F FACTOR (FT) 1.000
MTD, F 244.084
U*A, BTU/HR-F 1004.298

----------- -----------
STEAM, LB-MOL/HR 16.306 16.306
M LB/HR 0.294 0.294
SATURATION PRESSURE, PSIA 224.888
SATURATION TEMPERATURE, F 392.000

----------- -----------
FEED 3
LIQUID PRODUCT 4
LIQUID, LB-MOL/HR 62.025 62.025
M LB/HR 4.851 4.851
CP, BTU/LB-F 0.425 0.464
TOTAL, LB-MOL/HR 62.025 62.025
M LB/HR 4.851 4.851

Unit 4, 'T-2', 'RERUN COLUMN'

IN/OUT METHOD 10
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C 100.0 12.00 300.6 60.1L -5.7332
2 177.1 15.00 359.8 360.7
3 179.8 15.62 360.9 420.0
4 182.1 16.25 361.4 421.0 3.1V
5 184.7 16.88 421.9 418.4 59.0L
6 187.0 17.50 422.2 420.0
7 190.0 18.13 410.1 420.3
8 206.1 18.75 310.1 408.2
9 303.7 19.38 245.7 308.2
10R 374.4 20.00 243.8 1.9L 5.5425
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 5 MIXED 5 0.9505 62.03 0.3562
PROD 6 LIQUID 1 60.12 0.1317
PROD 7 LIQUID 10 1.91 0.0338

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT T-2 1 MOL RRATIO 5.000E+00 5.000E+00
REFLUX RATIOS
-------- REFLUX RATIOS --------
--------- --------- ---------

Stream Summary
STREAM ID 1 2 3 4
NAME WASTE WATER
PHASE LIQUID LIQUID LIQUID LIQUID
THERMO ID SET01 SET01 SET01 SET01

1 BENZENE 0.1001 0.0712 59.7283 59.7283
2 PHOH 1.9058 0.0100 1.8958 1.8958
3 H2O 160.5939 160.5937 0.4008 0.4008
4 BENZOIC 1.9999E-04 2.7964E-11 1.9999E-04 1.9999E-04
TEMPERATURE, F 86.0000 95.2205 87.1545 200.0000

PRESSURE, PSIA 21.3000 70.0000 60.0000 55.0000
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC TOTAL LIQUID 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID1 5.6721E-05 N/A N/A N/A
MOLE FRAC LIQUID2 0.9999 N/A N/A N/A
STREAM ID 5 6 6X 7
NAME
PHASE MIXED LIQUID LIQUID LIQUID

1 BENZENE 59.7282 59.7189 59.7189 9.3265E-03
2 PHOH 1.8958 3.9729E-06 3.9729E-06 1.8958
3 H2O 0.4008 0.4008 0.4008 5.3387E-12
4 BENZOIC 1.9999E-04 5.4756E-16 5.4756E-16 1.9999E-04
TEMPERATURE, F 190.2917 100.0000 100.7249 374.3893

PRESSURE, PSIA 20.0000 12.0000 70.0000 20.0000
MOLE FRAC VAPOR 0.0261 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.9739 1.0000 1.0000 1.0000
MOLE FRAC LIQUID1 N/A N/A 0.9980 N/A
MOLE FRAC LIQUID2 N/A N/A 1.9812E-03 N/A

Stream Summary
STREAM ID 8 8B
NAME SOLVENT
PHASE LIQUID LIQUID
THERMO ID SET01 SET01

1 BENZENE 59.6994 0.0195
2 PHOH 3.9716E-06 1.2990E-09
3 H2O 0.4007 1.3106E-04
4 BENZOIC 5.4738E-16 1.7903E-19
TEMPERATURE, F 100.7249 100.7249

ENTHALPY, MM BTU/HR 0.1331 4.3532E-05
MOLE FRAC LIQUID1 0.9986 N/A
MOLE FRAC LIQUID2 1.3817E-03 N/A


C6- Decant Column

A mixed alcohol/water feed stream, which also contains di-isopro-
pyl ether. The alcohol/water feed is to be distilled to produce a bot-
toms product consisting primarily of water. The amount of di-
isopropyl ether in this bottoms product is specified to contain less
than 0.01 percent of that in the column feed. The flowsheet for this
problem is shown in Figure C6-1.
Figure C6-1: Decant Column
C6- Decant Column Chemical 4-133

Process Data
The feed stream information is given in Table C6-1, and the process
information in Table C6-2.
Component Rate, lb-moles/hr
1 Di-isoproply ether 20.0
2 Isopropanol 60.0
3 Water 900.0
4 Butanol 20.0
Total 1000.0
Pressure, psia 20.0
Table C6-2: Column Operation Information

Column Location Pressure, psia
Column Condenser 15.5
Column Top Tray 15.5
Column Pressure Drop 0.5
Methods and Data

The K-values for the system are computed using a special ALCO-
HOL thermodynamic data package. This package uses a unique set
of NRTL binary data. Enthalpies and densities are calculated using
library values. Vapor phase properties are taken to be ideal, and heat
of mixing effects are taken into account.
Simulation Model
umn with 11 theoretical trays (including the condenser and
reboiler). The feed enters on stage 5. The presence of two liquid
phases in the separation column is handled by the CHEMDIST algo-
rithm.
Rigorous VLLE stage-by-stage calculations are CPU intensive and
in this case, unnecessary (except in the condenser). For this reason,
the overhead bubble point condenser model uses VLLE thermody-
namics, while the rest of the column uses VLE thermodynamics.
4-134 Chemical C6- Decant Column

Two operating specifications are imposed upon the column. Each
specification requires an independent variable to provide the neces-
sary degrees of freedom for the model to converge.
The first specification sets the minimum purity of di-isopropyl ether
(DIPE) in the bottoms product (stream 4). The reboiler duty is var-
ied to meet the DIPE recovery in the bottoms product.
Although the water-rich phase from the condenser is totally with-
drawn, half of the DIPE-rich phase is returned as reflux to the col-
umn. A second performance specification sets this reflux rate of the
DIPE- rich phase. The condenser duty is the second variable that
changes value in order to satisfy the reflux rate specification.
Input Data
English units are used for the simulation.
The initial estimate generator MODEL=CHEM is used with tray
temperature estimates.
Reporting column tray molar compositions is requested using-
PRINT COMP=M. (Note 1).
Note how to specify the reflux ratio of the DIPE-rich phase
(Note 2).
The purity specification of column bottom product may be
instructive (Note 3).
Separate thermodynamic sets are selected: VLLE in the con-
denser, and VLE in the remainder of the coulmn (Note 4).
Input Data File

TITLE PROJECT=APPBRIEFS, PROBLEM=C6, USER=SIMSCI
DESC Distillation Column with Decanter
DESC (using CHEMDIST 3-phase distillation)
DIMEN ENGLISH, TIME=HR, WT=LB, &
TEMP=F, PRES=PSIA, ENER=BTU, &
WORK=HP, LIQV=FT3, VAPV=FT3, &
VISC=CP, COND=BTUH, SURF=DYNE, &
XDEN=API
PRINT RATE=M,STREAM=ALL,INPUT=ALL
DBASE DATA=PC1,IDATA=25,SDATA=C6AMC
$
COMPONENT DATA
LIBID 1,DIPE / 2,IPA / 3,H2O / 4,BUTANOL &
$

THERMODYNAMIC DATA
METHOD KVALUE(VLE)=NRTL, SET=SET01, DEFAULT &
ENTH(V)=SRKM, ENTH(L)=IDEAL, &
DENS(V)=SRKM, DENS(L)=IDEAL
WATER DECANT=OFF
KVALUE(VLE) BANK=ALCOHOL, SIMSCI
$
METHOD KVALUE(VLLE)=NRTL, SET=SET02, &
ENTH(V)=SRKM, ENTH(L)=IDEAL, &
DENS(V)=SRKM, DENS(L)=IDEAL, &
L1KEY=1, L2KEY=3
KVALUE(VLLE) BANK=ALCOHOL, SIMSCI
$
STREAM DATA
PROP STREAM=1, TEMP=150, PRES=20, &
PHASE=M, RATE(M)=1000, NORMALIZE &
COMP(M)=1, 20/ 2, 60/ 3, 900/ 4, 20
NAME 1,FEED/ 2,DIPE PROD/ 3,WATER PHASE/ &

4,BTM PROD
$
UNIT OPERATIONS
COLUMN UID=COL1, NAME=COLUMN
PARAM TRAY=11, CHEMDIST=25, CUTOFF=0.1
FEED 1,5,SEPA
PROD OVHD(L1)=2,25, BTMS=4, &
L2DRAW=3,1,6
COND TYPE=BUBB, PRESS=15.5
DUTY 1,1,-1/ 2,11,11
PSPEC TOP=15.5, DPCOL=0.5
PRINT PROP=PART, COMP=M, & $ Note 1
ITER=PART, XYDATA, KVALUE
ESTI MODEL=CHEM
TEMP 1,149/ 2,150/ 11,190
SPEC STREAM=4, RATE(M), COMP=1, &
RATIO, & $ Note 2
REFFEED, RATE(M), COMP=1, &
VALUE=0.0001
SPEC COLUMN=COL1, PHASE=L1, &
RRAT(M), VALUE=1 $ Note 3
VARY DUTY=1,2
METHOD SET=SET02,1 / SET01,11 $ Note 4
END

Results
The column solves in 6 iterations. The reboiler duty required is
1.6146 MM Btu/hr, while the condenser duty is 0.7544 MM Btu/hr.
Output
The following results were extracted from the PRO/II output:
Column Summary
Unit 1, 'COL1', 'COLUMN'
CHEM METHOD 7
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C* 146.1 15.50 24.5 24.5L -0.7836
6.0L
2 147.6 15.50 24.8 55.0
3 148.7 15.56 24.7 55.3
4 150.0 15.61 26.6 55.3 12.4V
5 133.8 15.67 995.0 44.7 987.6L
6 144.6 15.72 1004.8 25.6
7 169.9 15.78 1031.2 35.3
8 185.5 15.83 1049.0 61.7
9 189.1 15.89 1053.1 79.5
10 190.1 15.94 1053.8 83.6
11R 192.0 16.00 84.4 969.5L 1.5343
* Trays with two liquid phases

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 MIXED 5 0.9876 1000.00 2.4943
PROD 2 L1OVHD 1 24.48 0.1346
PROD 3 L2DRAW 1 6.05 0.0130
PROD 4 LIQUID 11 969.47 3.0975

SPECIFICATIONS
------------- --------- ---- ------ ------------- ---------- ----------
2 (ACTIVE) UNIT COL1 1 MOL RRATIO 1.000E+00 1.000E+00

TRAY 1 TRAY 2
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 DIPE 0.72641 0.69184 0.84894 0.72641
2 IPA 0.09383 0.09664 0.08790 0.09383
3 H2O 0.17924 0.21146 0.05966 0.17924
4 BUTANOL 5.2526E-04 6.6307E-05 0.00350 5.2526E-04
RATE, LB-MOL/HR 24.48 0.00 24.78 55.01
TRAY 3 TRAY 4
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 DIPE 0.85731 0.74191 0.83983 0.74556
2 IPA 0.07825 0.08766 0.07473 0.08334
3 H2O 0.05280 0.16859 0.05141 0.16562
4 BUTANOL 0.01164 0.00183 0.03402 0.00547
RATE, LB-MOL/HR 24.73 55.31 26.59 55.26
TRAY 5 TRAY 6
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 DIPE 0.01734 0.76008 0.01304 0.67492
2 IPA 0.06037 0.07498 0.06509 0.10723
3 H2O 0.90169 0.15037 0.90056 0.19756
4 BUTANOL 0.02061 0.01457 0.02131 0.02029
RATE, LB-MOL/HR 995.02 44.72 1004.77 25.55
TRAY 7 TRAY 8
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 DIPE 0.00517 0.37081 0.00101 0.08637
2 IPA 0.07638 0.22881 0.08318 0.34741
3 H2O 0.89553 0.36007 0.89184 0.50716
4 BUTANOL 0.02291 0.04032 0.02397 0.05906
RATE, LB-MOL/HR 1031.17 35.30 1048.97 61.70
TRAY 9 TRAY 10
COMPONENT X Y X Y
---------- ---------- ---------- ----------
1 DIPE 1.5157E-04 0.01336 2.1019E-05 0.00189

2 IPA 0.08402 0.37632 0.08131 0.37265
3 H2O 0.89130 0.54540 0.89314 0.55561
4 BUTANOL 0.02452 0.06492 0.02553 0.06986
RATE, LB-MOL/HR 1053.07 79.50 1053.83 83.60
Tray Molar Compositions (Cont.)

TRAY 11
COMPONENT X Y
---------- ----------
1 DIPE 2.0648E-06 2.3897E-04
2 IPA 0.05913 0.33619
3 H2O 0.92025 0.58155
4 BUTANOL 0.02061 0.08203
RATE, LB-MOL/HR 969.47 84.35

TRAY 1
---------- ---------- ---------- ----------
1 DIPE 39.9293 0.0333 0.815416 0.005508
2 IPA 4.9827 0.1792 0.101754 0.029635
3 H2O 4.0274 5.8331 0.082245 0.964824
4 BUTANOL 0.0287 2.053E-04 0.000586 3.40E-05
TOTAL 48.9681 6.0458
FRACTION 0.890104 0.109896

STREAM ID 1 2 3 4
NAME FEED DIPE PROD WATER PHASE BTM PROD
1 DIPE 20.0000 19.9647 0.0333 2.0018E-03
2 IPA 60.0000 2.4913 0.1792 57.3295
3 H2O 900.0000 2.0137 5.8331 892.1532
4 BUTANOL 20.0000 0.0143 2.0534E-04 19.9854
TEMPERATURE, F 150.0000 146.0563 146.0563 192.0123
PRESSURE, PSIA 20.0000 15.5000 15.5000 16.0000

MOLE FRAC VAPOR 5.3972E-03 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 0.9946 1.0000 1.0000 1.0000

C7 - Shift and Methanator Reactors

Crude gas from a BCG/Lurgi slagging coal gasifier is upgraded by
shift conversion and methanation. The gasifier is to change to Pitts-
burgh No. 8 coal, and you have to determine the effect of this
change on the downstream shift and methanation units. The flow-
sheet is shown in Figure C7-1.
Figure C7-1: Reactor Flowsheet
Process Data
The crude gas feed (stream 1) is mixed with steam (stream 2) before
being fed to the shift reactor RX-1. This product gas is cleaned and
dried to remove water, carbon dioxide, and hydrogen sulfide. It then
serves as the feed to the methanator reactor. Both the shift and
methanator reactors operate adiabatically.
C7 - Shift and Methanator Reactors Chemical 4-141

The feed gas analysis is taken from Hydrocarbon Processing, April
1981, p. 115 and is shown in Table C7-1.
Table C7-1: Feed Stream 1 Information
Carbon monoxode 54.9 Methane 7.1
Hydrogen 28.9 Nitrogen 4.4
Carbon dioxide 3.4 Hydrogen Sulfide 0.5
Temperature, F 600
Pressure, psia 340
Table C7-2 lists the initial conditions of the steam utility that mixes
with the feed to the shift reactor.
Table C7-2: Steam Stream 2 Information
Component lb-mole/hr
Water 60.4
Temperature, F 435
Pressure, psia 340
Methods and Data

Soave-Redlich-Kwong is used for equilibrium and enthalpy calcu-
lations employing built-in binary interaction data from the PRO/II
library. The API method is used for liquid densities. Transport prop-
erties are based on blended values of pure component library val-
ues.
Equilibrium data for both the shift and methanation reactions are
built into the PRO/II reactor model.
Simulation Model
The shift reactor operates with an equilibrium temperature approach
of 50 F.
The gas clean-up is modeled in a stream calculator unit fed by the
reacted product of the shift reactor. Most of the excess water is
removed by specifying the fraction of each component that passes
to the methanator.
The methanator reactor models both the shift and methanation reac-
tions at 95% of the equilibrium conversion.
4-142 Chemical C7 - Shift and Methanator Reactors

Input Data
Default English units are used to create the following keyword
input file.The OUTDIMENSION statement after the TITLE statement
requests printing the output report using metric units in addition to
the default English units.
The shift and methanator reactor options are specified on the
RXCALCULATION and STOICHIOMETRY statements to retrieve
the stored reaction data.
Input Data File
TITLE PROJECT=APPBRIEFS, PROBLEM=C7, USER=SIMSCI
DESC Ref: HC Processing, Apr 1981, P. 115
OUTDIMENSION METRIC
PRINT INPUT=ALL
COMPONENT DATA
LIBID 1,H2O/ 2,CO/ 3,H2/ 4,CO2/ 5,C1/ 6,N2/ 7,H2S &
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,TRANS=PURE
KVALUE BANK=SIMSCI
STREAM DATA
PROP STREAM=1,TEMP=600,PRES=340,&
COMP=0.0/54.9/28.9/3.4/7.1/4.4/0.5
PROP STREAM=2,TEMP=435,PRES=340,COMP=60.4
UNIT OPERATIONS
EQUREACTOR UID=RX-1,NAME=SHIFT
FEED 1,2
PROD V=3
RXCALC MODEL=SHIFT
OPER ADIABATIC,DP=5
REAC SHIFT
APPROACH DT=50
STCALC UID=STC1,NAME=GAS CLEAN-UP
FEED 3
OVHD STREAM=5,DP=5,TEMP=450.
BTMS STREAM=4,DP=5,TEMP=240.
FOVHD 1,,0.01/2,3,1./4,,0.01/5,6,1.0/7,,0.0001
EQUREACTOR UID=RX-2,NAME=METHANATOR
FEED 5
PROD V=6
RXCALC MODEL=METHANATION
OPER ADIA,DP=10,DUTY=-1.75
REAC SHIFT
APPROACH FRACTION=0.95
REAC METHANATION
APPROACH FRACTION=0.95

END
Results
Most of the carbon monoxide and hydrogen in the feed is converted
to methane. Less than 2% of the feed carbon monoxide remains in
the product gas stream. The carbon dioxide and hydrogen sulfide
are removed with the water from the clean-up section.
Output
The output is shown for both the reactors and for the stream calcula-
tor unit. The stream output shows the details of all the streams in the
flow sheet. All the output is shown in the alternate (metric) units.
Shift Reactor Summary

Unit 1, 'RX-1', 'SHIFT'
REACTOR TYPE ADIABATIC SHIFT CONVERTER
DUTY, MM BTU/HR -2.21639E-10
INLET OUTLET
----------- -----------
FEED 1
2
VAPOR PRODUCT 3
PRESSURE, PSIA 340.0000 335.0000
REACTION DATA
-------------- ----------- ----------- ----------- -----------
1 H2O 60.4000 -34.0431 26.3569 0.5636
2 CO 54.9000 -34.0431 20.8569 0.6201
3 H2 28.9000 34.0431 62.9431
4 CO2 3.4000 34.0431 37.4431
5 C1 7.1000 0.0000 7.1000
6 N2 4.4000 0.0000 4.4000
7 H2S 0.5000 0.0000 0.5000
TOTAL 159.6000 0.0000 159.6000
LB-MOL/HR FRACTION
-------------- ----------- ----------- ------------
2 CO SHIFT 34.0431 0.6201

Shift Reactor Summary

Unit 1, 'RX-1', 'SHIFT'
------------- ----------- ----------- ----------- -----------
1 H2O 1088.1229 -613.2965 474.8264 0.5636
2 CO 1537.7710 -953.5618 584.2093 0.6201
3 H2 58.2589 68.6269 126.8858
4 CO2 149.6333 1498.2314 1647.8647
5 C1 113.9036 0.0000 113.9036
6 N2 123.2593 0.0000 123.2593
7 H2S 17.0409 0.0000 17.0409
TOTAL 3087.9900 0.0000 3087.9900
Methanator Reactor Summary

Unit 3, 'RX-2', 'METHANATOR'
REACTOR TYPE ADIABATIC METHANATOR
DUTY, MM BTU/HR -1.7500
INLET OUTLET
----------- -----------
FEED 5
VAPOR PRODUCT 6
PRESSURE, PSIA 330.0000 320.0000
REACTION DATA
-------------- ----------- ----------- ----------- -----------
1 H2O 0.2636 19.5591 19.8227
2 CO 20.8569 -19.8134 1.0435 0.9500
3 H2 62.9431 -58.9316 4.0116 0.9363
4 CO2 0.3744 0.1272 0.5016
5 C1 7.1000 19.6862 26.7862
6 N2 4.4000 0.0000 4.4000
7 H2S 5.00000E-05 0.0000 5.00000E-05
TOTAL 95.9381 -39.3725 56.5656
LB-MOL/HR FRACTION
---------------- ----------- ----------- ------------
2 CO METHANATION 19.6862 0.9439
2 CO SHIFT 0.1272 6.09697E-03

Methanator Reactor Summary

Unit 3, 'RX-2', 'METHANATOR' (Cont.)
------------- ----------- ----------- ----------- -----------
1 H2O 4.7483 352.3624 357.1106
2 CO 584.2093 -554.9816 29.2277 0.9500
3 H2 126.8858 -118.7990 8.0868 0.9363
4 CO2 16.4786 5.5965 22.0751
5 C1 113.9036 315.8217 429.7253
6 N2 123.2593 0.0000 123.2593
7 H2S 1.70409E-03 0.0000 1.70409E-03
TOTAL 969.4866 0.0000 969.4866
Stream Calculator Summary

Unit 2, 'STC1', 'GAS CLEAN-UP'
NET DUTY, MM BTU/HR -1.17527

3 1.000

MOL FRAC H/C LIQUID 0.00000
MOL FRAC WATER 0.00000
PRODUCTS OVERHEAD BOTTOMS ALTERNATE

PRODUCT
MIXED 4
VAPOR 5

Feed And Product Stream Output

STREAM ID 1 2 3 4
NAME
PHASE DRY VAPOR WATER VAPOR WET VAPOR MIXED

1 H2O 0.0000 60.4000 26.3569 26.0933
2 CO 54.9000 0.0000 20.8569 0.0000
3 H2 28.9000 0.0000 62.9431 0.0000
4 CO2 3.4000 0.0000 37.4431 37.0687
5 C1 7.1000 0.0000 7.1000 0.0000
6 N2 4.4000 0.0000 4.4000 0.0000
7 H2S 0.5000 0.0000 0.5000 0.5000
TOTAL RATE,
LB-MOL/HR 99.2000 60.4000 159.6000 63.6620
TEMPERATURE, F 600.0000 435.0000 915.1537 240.0000

PRESSURE, PSIA 340.0000 340.0000 335.0000 330.0000
ENTHALPY,
MM BTU/HR 0.4718 1.3270 1.8979 0.4178
MOLE FRAC
VAPOR 1.0000 1.0000 1.0000 0.6380
TOTAL LIQUID 0.0000 0.0000 0.0000 0.3620
H/C LIQUID 0.0000 0.0000 0.0000 0.0000
FREE WATER 0.0000 0.0000 0.0000 0.3620

Feed And Product Stream Output

STREAM ID 5 6
NAME
PHASE WET VAPOR WET VAPOR

1 H2O 0.2636 19.8227
2 CO 20.8569 1.0435
3 H2 62.9431 4.0116
4 CO2 0.3744 0.5016
5 C1 7.1000 26.7862
6 N2 4.4000 4.4000
7 H2S 5.0000E-05 5.0000E-05
TEMPERATURE, F 450.0000 588.2394

PRESSURE, PSIA 330.0000 320.0000
MOLE FRAC TOTAL LIQUID 0.0000 0.0000
MOLE FRAC H/C LIQUID 0.0000 0.0000
MOLE FRAC FREE WATER 0.0000 0.0000

C8 - Non-ideal Chemical Separation

Acetic acid is widely used throughout the chemical industries, and
much of it is reacted with ethylene to produce acetic anhydride. The
major use of acetic anhydride is in making vinyl acetate and other
esters. In this problem, a distillation is set up to separate a 99.9 mole
percent pure acetone distillate from acetic acid and acetic anhy-
dride. The simulation flowsheet is shown in Figure C8-1.
Figure C8-1: Acetone Separation Flow Sheet
C8 - Non-ideal Chemical Separation Chemical 4-149

After passing through the still, the overhead is cooled by an
attached heat exchanger and the bottoms is heated by another
attached heat exchanger. Water is used on the condenser heat
exchanger's cold side. Steam is used on the reboiler heat
exchanger's hot side.
You have been asked to calculate the flowrates and compositions of
the product streams, the condenser's cooling duty, the heating duty
of the reboiler, the condenser cooling water flowrate and the
reboiler steam flowrate.
Process Data
Table C8-1 lists the feed stream information for the simulation.
Table C8-1: Feed Stream Conditions
Stream FEED_STREAM
Rate 15000 kg/hr
Acetone 46% by weight
Acetic Acid 27% by wieght
Acetic Anhydride 27% by wieght
Pressure 101.325 kPa
Temperature 348 K
Separation column operating conditions appear in Table C8-2.
Table C8-2: Still Tower Process Information
Column STILL_TOWER
Number of Trays 8
Feed Tray 4
Molar Reflux Ratio 1:1
Overhead Product Initial Rate
Estimate 6750 kg per hour
Purity, Acetone in Overhead 99.9 +- 0.0001 Acetone
Condenser Temperature 303 K
Top Tray Pressure Same as feed stream
Pressure drop across column Minimal
4-150 Chemical C8 - Non-ideal Chemical Separation

Table C8-3 lists operating conditions for the heat exchangers that
model the condenser and reboiler of the column in this simulation.
Table C8-3: Heat Exchanger Process Information
Heat Exchanger CONDENSER_HX

Cooling Water Temperature,
Inlet 283 K
Outlet 293 K
Heat Exchanger REBOILER_HX
Saturated Utility Steam
Pressure 1103.1 kPa
The components present in the system are acetone, acetic acid, and
acetic anhydride. The NRTL thermodynamic system with the VLE
active option is chosen because it has interaction pair data that will
more accurately model the non-idealities in the mixture. The
Hayden-O'Connell vapor fugacity option will be used to account for
dimers of the carboxylic (acetic) acid. However, not all binary inter-
action pairs are immediately available. Any pairs not available in
the SimSci databanks will be estimated using the UNIFAC group
contribution method.
Simulation Model
The feed stream enters the column on tray 4. This simulation man-
dates that half the molar flowrate into the condenser be withdrawn.
Scoping calculations predict that approximately 6750 kg/hr of over-
head product will leave the system. This column operates with a
minimal pressure drop across it. The column simulation model uses
the inside-out algorithm to perform the tray-by-tray calculations.
The boiling point of acetone is 303K at 101.325 kPa, and the over-
head purity specification makes it safe to assume that it is the con-
denser temperature.
The overhead product of the column is run through an attached heat
exchanger that performs the condenser calculations. The condenser
uses a simple heat exchanger model that has a water utility on its
cold side. The cooling water enters at 283 K and exits at 293 K.
The bottoms product of the column is run through an attached heat
exchanger that models the reboiler. The reboiler uses a simple heat
exchanger model that has a saturated steam utility on its hot side.
The steam is pressurized to 1101.3 KPA.

The PRINT and PLOT statements in the colimn input listing request
additional tray-by-tray output of the separation factors. This infor-
mation helps verify that the column is not oversized for the man-
dated purity specification.
Input Data
SI units are used throughout the simulation. The keyword input data
file is shown on the following page.
Input Data File

TITLE PROJ=AppBriefs, PROB=C8, USER=SIMSCI, DATE=Nov_2008
DESC Separation of Acetone
DESC from acetic acid and acetic anhydride
DIMENSION SI
COMPONENT DATA
LIBID 1,ACETONE/ 2,ACETIC/ 3,AC2O, BANK=SIMSCI, PROCESS
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, PHI=HOCV, SET=NRTL01
KVAL(VLE) FILL=UNIF
STREAM DATA
PROPERTY STREAM=FEED_STREAM, TEMPERATURE=348, &
PRESS=101.325, PHASE=M, RATE(WT)=15000, &
COMPOSITION(WT)=1,0.46/ 2,0.27/ 3,0.27
NAME FEED_STREAM, Acetone-Acetic Acid-Acetic Anhydride/ &
OVHD_STREAM, Nearly Pure Acetone Distillate Product/&
BTMS_STREAM, Acid Anhydride Bottoms Product
UNIT OPERATIONS
COLUMN UID=STILL_TOWER, NAME=Main Column
PARAMETER TRAY=8, IO=15
FEED FEED_STREAM,4
$ OVERHEAD PRODUCT RATE ESTIMATED FROM OVERALL MASS BALANCE
PRODUCT OVHD(WT)=OVHD_STREAM,6750,BTMS(M)=BTMS_STREAM
CONDENSER TYPE=TFIX, TEMPERATURE=303
HEATER=1,1/2,8
PRINT COMPONENT=M, WT, KEYLIGHT=1,1, KEYHEAVY=2,3
PLOT SFACTOR
$ ESTIMATE RRATIO=1, TTEMP=329, RTEMP=398
$ REFLUX RATIO MANDATED AS 1
$ DISTILLATE PURITY MANDATED AS
$ 0.999 MOLE FRACTION ACETONE
SPEC RRATIO, VALUE=1
SPEC STREAM=OVHD_STREAM, FRACTION, COMP=1, &
VALUE=0.999, ATOL=1E-4
VARY DUTY=1,2
DEFINE PTOP AS STREAM=FEED_STREAM, PRESSURE

HX UID=CONDENSER_HX, NAME=Condenser Model
ATTACH COLUMN=STILL_TOWER, TYPE=CONDENSER
HX UID=REBOILER_HX, NAME=Reboiler Model

UTILITY STEAM, PSAT=1101.3
ATTACH COLUMN=STILL_TOWER, TYPE=REBOILER
END
Results
Table C8-4: Summary of Selected Results
Product Stream OVHD_STREAM

Rate 116.1916 kg-mol/hr
Composition Acetone 116.0754 kg-mol/hr
(99.9 mole %)
Acetic Acid 0.0674 kg-mol/hr
Acetic Anhydride 0.0488 kg-mol/hr
Product Stream BTMS_STREAM
Rate 109.7219 kg-mol/hr
Composition Acetone 2.7262 kg-mol/hr
Acetic Acid 67.3735 kg-mol/hr
Acetic Anhydride 39.6221 kg-mol/hr
Reboiler REBOILER_HX
Heating Requirement 7.855 GigaJoule per hour
Hot Side Steam Rate 3943000 kg per hour
Condenser CONDENSER_HX
Cold Side Water Rate 183448.76 kg per hour
Conclusions
The simulation has produced a reasonable analysis of the material
energy balances in the column and its attached heat exchangers.
Product flowrates corresponded well to the estimates. The separa-
tion factor plot for the acetone/acetate split is shown in Figure C8.2.
Had the number of trays been too great, the graph would have
shown flat areas or even inflection points. It should be noted that
the separation factor plot can be a useful tool in finding an optimum
value for the number of theoretical trays. This is done by running
and reviewing the output file iteratively.

Output
Column separation factors by tray are shown in Figure C8-2. This
plot is in addition to the line printer plot requested by the PLOT
statement of keyword input for the column. This plot was generated
in PROVISION by navigating to the Output menu, Generate Plot ...
option. Highlight STILL TOWER (Column) in the Units for Selec-
tion list; then select Separation Factor from the Available Plots list.
Figure C8-2: Separation Factor Plot
The listings that follow are representative extracts from the output
report that PRO/II produces, and are not complete. In particular, the
requested listings of tray compositions have been omitted and are
not shown here.
The column summary output shows the tray flowrates, tempera-
tures, and pressures. Details for the reboiler and condenser appear
on the heat exchanger output.
The stream molar component flowrates generated by PRO/II are
included, Also, Figure C8-3 presents an example of a Stream Table
Material Balance List (generated by PROVISION).

Rigorous Distillation Column Output

Column 'STILL_TOWER', 'Main Column'
IN/OUT METHOD 10
COLUMN SUMMARY

------ ------- -------- -------- -------- --------- --------- ------------
1C 303.0 101.33 116.2 116.2L -7.6805
2 330.2 101.33 125.9 232.4
3 337.1 101.33 119.0 242.0
4 354.6 101.33 352.8 235.2 225.9L
5 370.9 101.33 370.8 243.1
6 383.6 101.33 383.0 261.1
7 390.9 101.33 380.9 273.3
8R 395.7 101.33 271.2 109.7L 7.8847

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED FEED_STREAM LIQUID 4 1.0000 225.91 2.3640
PROD OVHD_STREAM LIQUID 1 116.19 0.4325
PROD BTMS_STREAM LIQUID 8 109.72 2.1356

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT STIL 1 MOL RRATIO 1.000E+00 1.000E+00
2 (ACTIVE) STRM OVHD 1 1 MOL FRACTION 9.990E-01 9.990E-01


Unit 2, 'CONDENSER_HX', 'Condenser Model'
Heat Exchanger is attached to Column STILL_TOWER, Unit 1
as a Condenser
DUTY, M*KJ/HR 7.681

LMTD, K 27.719
F FACTOR (FT) 0.937
MTD, K 25.961
U*A, KW/K 82.181

----------- -----------
STREAM IS FROM COLUMN STILL_TOWER , UNIT 1
VAPOR, KG-MOL/HR 232.383
K*KG/HR 13.501
CP, KJ/KG-K 1.316
K*KG/HR 13.501
CP, KJ/KG-K 2.189
TOTAL, KG-MOL/HR 232.383 232.383
K*KG/HR 13.501 13.501
PRESSURE, KPA 101.325 101.325

----------- -----------
COOLING WATER, KG/HR 183448.762 183448.762


Unit 3, 'REBOILER_HX', 'Reboiler Model'
Heat Exchanger is attached to Column STILL_TOWER, Unit 1
as a Reboiler
DUTY, M*KJ/HR 7.885

LMTD, K 64.103
F FACTOR (FT) 1.000
MTD, K 64.103
U*A, KW/K 34.167

----------- -----------
STEAM, KG-MOL/HR 218.846 218.846
K*KG/HR 3.943 3.943
SATURATION PRESSURE, KPA 1101.300
SATURATION TEMPERATURE, K 457.435

----------- -----------
STREAM IS FROM COLUMN STILL_TOWER , UNIT 1
K*KG/HR 18.760
CP, KJ/KG-K 2.086
LIQUID, KG-MOL/HR 380.875 109.743
K*KG/HR 27.010 8.251
CP, KJ/KG-K 2.356 2.317
TOTAL, KG-MOL/HR 380.875 380.875
K*KG/HR 27.010 27.010
VAPORIZATION, KG-MOL/HR 271.132
PRESSURE, KPA 101.325 101.325


STREAM ID BTMS_STREAM FEED_STREAM OVHD_STREAM
NAME Acid Acetone-Acet Nearly Pure
Anhydride ic Acid-Acet Acetone
Bottoms ic Anhydride Distillate
Product Product

1 ACETONE 2.7262 118.8016 116.0754
2 ACETIC 67.3735 67.4409 0.0674
3 AC2O 39.6221 39.6710 0.0488
TEMPERATURE, K 395.7055 348.0000 303.0000

PRESSURE, KPA 101.3250 101.3250 101.3250
ENTHALPY, M*KJ/HR 2.1356 2.3640 0.4325
MOLE FRAC VAPOR 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000
Stream Property Table: Material Balance List

Of the many pre-defined stream property lists available in PROVI-
SION, the Material Balance List most closely mimics the report of
stream molar component rates (above). Figure C8-3 illustrates the
Stream Table Material Balance list. It was created as follows:
On the PROVISION menu bar, select Stream Property Table
from the Output menu.
Move the cursor to a desired position on the flowsheet diagram
of the main window; then click the mouse to drop the Stream
Property Table.
Double click the stream property table to open the options dia-
log.
From the Property List to be used: scrollable list, select Mate-
rial Balance List.
Use the Add or Add All button to specify streams to display.
Activate other Table Appearance options as desired.
Click OK to exit the dialog and display the property table.

Figure C8-3: Stream Table Material Balance List (PROVISION)


Section 5: Solids
S1 - p-Xylene Crystalization
p-xylene is separated from a xylene stream by crystallization. This
demonstration simulates the process requirements to achieve 65%
p-xylene recovery at 95% (by weight) purity.
Figure S1-1: p-xylene Crystallization Process
Process Data
The crystallization process is shown in Figure S1-1 is based on the
work of Haines, Powers and Bennet1. The flowsheet contains two
crystallization stages with associated auxiliary separation equip-
ment. A concentrated p-xylene liquor is recycled from the second
unit back to the first unit. The final crystalline product contains 95
% p-xylene.
1. Haines, H. W., J. M. Powers, and R. B. Bennett, p-Xylene from

Petroleum, Ind. & Eng. Chem., vol. 47, no. 6, pg. 1096 (1955).
S1 - p-Xylene Crystalization Solids 5-161
The feed to the process is given in Table S1.
Table S1-1: Feed Stream Information
Component lb/hr
Toluene 2040
p-xylene 5372
m-xylene 13464
o-xylene 6800
Ethylbenzene 6325
Temperature( F ) 75
Pressure( psia ) 20
The mixed xylene feed is interchanged with the mother liquor from
the first crystallization section. The cooled feed is then sent into a
scraped surface heat exchanger chilled with ethylene to -95 F. For
the purpose of simulation, the scraped surface exchanger is sepa-
rated into an exchanger(FCO1) and crystallizer unit(CR1). The
mother liquor is then sent into a centrifuge(CEN1) to separate the
mother liquor from the crystalline product.
The mother liquor is recycled to cool down the feed. The crystal
product is dissolved and sent to the second stage cooler, chilled with
propane to 0 F and sent to the second stage crystallizer. The crystal
slurry is separated in the second centrifuge where the mother liquor
is recycled back to the feed and the final crystal product is sent to a
dissolver.
Methods and Data

All component data used in the simulation, including solid data, are
obtained from the SimSci pure component library. The ATTRI-
BUTES statement in the Component Data Category defines 10 par-
tial size intervals for the p-xylene ranging from 0 to 10000 microns.
ATTRIBUTES COMP=2, PSD(MIC)=0., 10., 25., 50., 75., &
100., 250., 500., 1000., 5000., 10000.
This system is essentially a mixture of chemically similar aromatic
components (toluene, ethylbenzene, p-xylene, o-xylene and m-
xylene) that form an ideal solution in the liquid phase. The VLE for
these components can be approximated using Raoult's Law. This is
selected by choosing SYST=IDEAL on the METHODS statement.
5-162 Solids S1 - p-Xylene Crystalization

The van't Hoff (ideal solubility) method2is selected in the Thermo-
dynamic Data Category to describe solid liquid equilibrium, and
matches well with experimented data. Transport properties used in
most of the solids unit operation models are available in the pure
component library for all the components in this simulation and are
obtained from the library.
Simulation Model
The simulation flowsheet is represented in Figure S1-2. The first
crystallization stage is explained in detail to demonstrate some of
PRO/II's solids capabilities. The second stage is nearly identical to
the first stage with the exception of the final melt unit described
below.
Figure S1-2: Simulation Model
2. van't Hoff, J. M., Z. Physik. Chem., 1, pg. 481 (1987).

The crystallization unit is a scraped surface type. To simulate this
type of unit, the feed to the crystallizer is first cooled in the ethylene
chiller and then sent to the crystallization unit.
The crystallizer unit CR1 is rated at 1500 gallons. The crystallizer
volume is calculated to achieve this specification. The operating
conditions are -95F and O. pressure drop. Slurry recirculation is
not used in this process, but could have been specified if desired.
Growth rates and nucleation kinetic constants data are obtained
from literature sources.
The filtering centrifuge unit (CEN1) separates the crystallizer efflu-
ent into filtrate and crystal product. The centrifuge performance is
adjusted to achieve the desired liquid rate of 963 pounds per hour in
the cake with the use of controller (CON1).
The dissolver unit is used to dissolve the p-xylene crystals back into
solution for transport to the next unit. The solvent component
selected is ethylbenzene, but in reality the entire mixture acts as a
solvent. The dissolver unit is designed to dissolve all the feed p-
xylene at an operating temperature of 75 F.
A melter unit is used for the final crystal product exiting centrifuge
number 2. The unit is operated at 75 F and completely melts all p-
xylene product into solution.
Input Data
The following is a complete input file for the p-xylene crystalliza-
tion process.
Input Data File

TITLE PROJECT=APPBRIEFS, PROBLEM=S1, USER=SIMSCI, DATE=Nov2008
DESCRIPTION Humble P-Xylene Crystallization Process
DIMENSION ENGLISH, XDENSITY=DENSITY, FLENGTH=MIC
PRINT STREAM=COMP, RATE=W, FRACTION=M,W, MBAL
COMPONENT DATA
LIBID 1,TOLU / 2,PXYLENE / 3,MXYLENE / 4,OXYLENE / 5,EBZN/ &
6,ETLN/7,C3, BANK=SIMSCI, PROCESS
ATTR COMP=2, PSD(MIC)=0., 10., 25., 50., 75., 100., 250., &
500., 1000., 5000., 10000.
THERMODYNAMIC DATA
METHOD SYSTEM=IDEAL, KVAL(SLE)=VANT, TRANSPORT=LIBRARY
STREAM DATA
PROP STREAM=1, TEMP=75.0, PRES=20., RATE(W)=34000., &
COMP(W)=6./15.8/39.6/20./18.6
$ INITIAL ESTIMATE FOR RECYCLE STREAMS

PROP STREAM=14, TEMP=-95.0, PRES=66., RATE(W)=31000., &
COMP(W)=6.5/9.0/42.8/21.6/20.1
PROP STREAM=17, TEMP=1.0, PRES=65., RATE(W)=2000., &
COMP(W)=4.1/42.8/26.9/13.6/12.6
UNIT OPERATIONS
HX UID=FHX, NAME=EXCHANGER
HOT FEED=1, 17, M=2, DP=2
COLD FEED=14, M=15, DP=2
OPERATION HTEMP=-35.
CONFIG U=150.
HX UID=FCO1, NAME=COOLER1
UTILITY REFRIGERANT=6, TSAT=-150.
OPERATION HTEMP=-95.
CONFIG U=150.
CRYSTALLIZER UID=CR1, NAME=CRYSTAL1
FEED 3
PROD OVHD=OVH1, BTMS=4
PRINT CSD
RATING VOLUME(GAL)=1500.
CCALC SHAPE=1.0
OPERATION SOLU=2, SOLV=1, TEMP=-95.0, DP=0.
GROWTH KG=1.E-07, GEXP=0.2
NUCLEATION KB=8.E+13
FCENTRIFUGE UID=CEN1, NAME=CENTRIFUGE1
FEED 4
PRODUCT FILTRATE=13, CAKE=5
RATING DIAMETER=3., RPM=1000.
CONTROL UID=CON1, NAME=CONTROLCEN1
SPEC STREAM=5, RATE(W), PHASE=L, VALUE=963., ATOL=0.1
VARY FCENTRIFUGE=CEN1, DIAMETER
PUMP UID=P1, NAME=PUMP1
FEED 13
PRODUCT L=14
OPERATION DP=50.
DISSOLVER UID=DIS1, NAME=DISSOLVER
FEED 5
PRODUCT OVHD=OVH2, BTMS=6
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=5, TEMP=75., DP=0.
DESIGN DFRAC=1.0
HX UID=FCO2, NAME=COOLER2

UTILITY REFRIGERANT=7, TSAT=-40.
OPERATION HTEMP=0.
CONFIG U=150.
CRYSTALLIZER UID=CR2, NAME=CRYSTAL2
FEED 7
PROD OVHD=OVH3, BTMS=8
PRINT CSD
RATING VOLUME=200
CCALC SHAPE=1.0
OPERATION SOLU=2, SOLV=1, TEMP=0.0, DP=0
GROWTH KG=1.E-07, GEXP=0.2
NUCLEATION KB=8.E+13
FCENTRIFUGE UID=CEN2, NAME=CENTRIFUGE2
FEED 8
PRODUCT FILTRATE=16, CAKE=9
RATING DIAMETER=2., RPM=1000.
CONTROL UID=CON2, NAME=CONTROLCEN2
SPEC STREAM=9, FRACTION(W), COMP=2, VALUE=0.95, &
ATOL=0.0002
VARY FCENTRIFUGE=CEN2, DIAMETER
PUMP UID=P2, NAME=PUMP2
FEED 16
PRODUCT L=17
OPERATION DP=50.
MELTER UID=DIS2, NAME=MELT
FEED 9
PRODUCT L=10
OPERATION TEMP=75, DP=0.
RECYCLE
ACCELERATION TYPE=WEGS
END
Result
The product specifications of 95 weight percent p-xylene purity and
65% recovery are met, as shown in the stream output. The recycle
stream has a flowrate of 1222 pounds per hour and 43 weight per-
cent p-xylene.

Output
Selected PRO/II output is shown below. Output selected highlight
solids capabilities.
UNIT 4, 'CEN1', 'CENTRIFUGE1'

Feeds 4
Products Liquid 13
Mixed 5
Type of Operation Rating
Operating Conditions
Temperature, F -95.0000
Pressure, PSIA 16.0000
Average Particle Diameter, MIC 52.3298
Average Solid Density, LB/FT3 62.8024
Total Solid Feed Mass Flow Rate, LB/HR 3984.3071
Surface tension, DYNE/CM 39.7657
Volume Flow Rate of Filtrate, FT3/HR 515.7526
Particle Sphericity 0.7500
Physical Configuration
Bowl Diameter, FT 1.7000
Radius of Liquid Surface / Radius of Bowl 0.7380
Radius of Cake / Radius of Bowl 0.7900
Height of Bowl / Radius of Bowl 0.9545
RPM 1000.0000
Basket Height, FT 0.8113
Selected Bowl Radius, FT 0.8500
Centrifuge Type Not Specified
Cake Properties
Mass Fraction of Solid in Cake 0.8053
Cake Thickness, MIC 5.441E+04
Cake Resistance, FT/LB 2.976E+06
Filter Medium Resistance, 1/FT 6.096E+05
Porosity if Cake 0.4500

UNIT 7, 'DIS1', 'DISSOLVER'
Feeds 5
Products Liquid 6
FEED TEMPERATURE, F -95.00
DISSOLVER TEMPERATURE, F 75.00
TEMPERATURE CHANGE ACROSS DISSOLVER, F 170.00
PRESSURE DROP, PSIA 0.00
DISSOLVER DATA
VOLUME, FT3 19.2638
RESIDENCE TIME, HR 0.1181
CRYSTAL DISSOLUTION RATE, LB/HR 3984.307
WT FRACTION OF CRYSTALS DISOLVED 1.000
SLURRY PROPERTIES
CRYSTAL COMPONENT 2 PXYLENE
MOTHER LIQUOR DENSITY, LB/FT3 53.205
PRODUCT STREAM MAGMA DENSITY, LB/FT3 0.000
VOL FRAC OF LIQ IN FEED SLURRY 0.557
VOL FRAC OF LIQ IN PRODUCT SLURRY 1.000
FEED SLURRY VOLUMETRIC RATE, FT3/HR 143.271
PRODUCT SLURRY VOLUMETRIC RATE, FT3/HR 163.055
PARTICLE SIZE DISTRIBUTION

--- DISSOLUTION BY ---
------- DIAMETER, MIC -------- --- WT FRAC ---- PARTICLE SIZE,
MIC
RANGE AVERAGE FEED PRODUCT FEED PRODUCT
------------------ ---------- ------- ------- ------- --------
0.000 - 10.00 5.000 0.0040 0.0000 5.000 0.000
10.00 - 25.00 17.50 0.1055 0.0000 17.50 0.000
25.00 - 50.00 37.50 0.4129 0.0000 37.50 0.000
50.00 - 75.00 62.50 0.3186 0.0000 62.50 0.000
75.00 - 100.0 87.50 0.1457 0.0000 87.50 0.000
100.0 - 250.0 175.0 0.0132 0.0000 175.0 0.000
250.0 - 500.0 375.0 0.0000 0.0000 375.0 0.000
0.500 - 1.000E+03 0.750 E+03 0.0000 0.0000 750.0 0.000
1.000 - 5.000E+03 3.000 E+03 0.0000 0.0000 3.000E+03 0.000
5.000 - 10.00E+03 7.500 E+03 0.0000 0.0000 7.500E+03 3.634E+03

UNIT 3, 'CR1', 'CRYSTAL1'
Feeds 3
Products Mixed 4
HEAT EXCHANGER DUTY, MM BTU/HR -0.2227
VOLUME, FT3 200.5204
RESIDENCE TIME, HR 0.3367
CRYSTAL PRODUCTION RATE, LB/HR 3984.307
TEMPERATURE CHANGE IN HEAT EXCHANGER, F N/A
SLURRY RECIRCULATION RATE, FT3/HR N/A
AGITATOR RPM 100.000
CRYSTALLIZER DATA
CRYSTAL COMPONENT 2 PXYLENE
SUPERSATURATION 7.6883E-03
CRYSTAL SHAPE FACTOR 1.000
SLURRY PROPERTIES
FEED SLURRY LIQUID VOLUME FRACTION 1.000
FEED SLURRY VOLUMETRIC RATE, FT3/HR 600.354
PRODUCT SLURRY LIQUID VOLUME FRACTION 0.893
PRODUCT SLURRY VOLUMETRIC RATE, FT3/HR 595.582
PRODUCT SLURRY MAGMA DENSITY, LB/FT3 6.690
KINETICS DATA
GROWTH RATE, FT/SEC 3.7772E-08
NUCLEATION RATE, NUMBER/HR/FT3 6.1507E+11
PARTICLE SIZE DISTRIBUTION --- NUMBER DENSITY ---

------- DIAMETER, MIC -------- --- WT FRAC ---- /MIC/FT3
RANGE AVERAGE FEED PRODUCT FEED PRODUCT
------------- ---------- ------- ------- ----------- ----------
0.000 - 10.00 5.000 0.0000 0.0040 0.0000E+00 9.2663E+09
10.00 - 25.00 17.50 0.0000 0.1055 0.0000E+00 3.7833E+09
25.00 - 50.00 37.50 0.0000 0.4129 0.0000E+00 9.0241E+08
50.00 - 75.00 62.50 0.0000 0.3186 0.0000E+00 1.5043E+08
75.00 - 100.0 87.50 0.0000 0.1457 0.0000E+00 2.5076E+07
100.0 - 250.0 175.0 0.0000 0.0132 0.0000E+00 4.7422E+04
250.0 - 500.0 375.0 0.0000 0.0000 0.0000E+00 2.8272E-02
0.500 - 1.000E+03 0.750E+03 0.0000 0.0000 0.0000E+00 6.0281E-14
1.000 - 5.000E+03 3.000E+03 0.0000 0.0000 0.0000E+00 0.0000E+00
5.000 - 10.00E+03 7.500E+03 0.0000 0.0000 0.0000E+00 0.0000E+00

UNIT 13, 'DIS2', 'MELT'
Feeds 9
Products Liquid 10
MOLE FRAC MW SOLID 0.0000
MELTING/FREEZING DATA
COMPONENTS MELTED FRACTION MM BTU/HR F
--------------------- -------- ----------- -------
2 PXYLENE 1.0000 0.2334 55.87

Stream Output
STREAM ID 1 2 3 4
NAME
PHASE LIQUID LIQUID LIQUID MIXED
THERMO ID IDEA01 IDEA01 IDEA01 IDEA01
FLUID RATES, LB/HR

1 TOLU 2040.0000 2091.2316 2091.2316 2091.2316
2 PXYLENE 5372.0000 5908.3549 5908.3549 1924.0478
3 MXYLENE 13464.0000 13802.1282 13802.1282 13802.1282
4 OXYLENE 6800.0000 6970.7718 6970.7718 6970.7718
5 EBZN 6324.0000 6482.8178 6482.8178 6482.8178
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 34000.0000 35255.3044 35255.3044 31270.9973
MW SOLID RATES, LB/HR

1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 0.0000 0.0000 0.0000 3984.3071
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR 0.0000 0.0000 0.0000 3984.3071
TOTAL RATE, LB/HR 34000.0000 35255.3044 35255.3044 35255.3044
TEMPERATURE, F 75.0000 -35.0000 -95.0000 -95.0000

PRESSURE, PSIA 20.0000 18.0000 16.0000 16.0000
ENTHALPY, MM BTU/HR 0.5884 -0.9157 -1.7119 -1.9346
WEIGHT FRAC MW SOLID 0.0000 0.0000 0.0000 0.1130

Stream Output, continued
STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID LIQUID MIXED
FLUID RATES, LB/HR

1 TOLU 64.4005 64.4005 64.4005 64.4005
2 PXYLENE 59.2520 4043.5591 4043.5591 674.2240
3 MXYLENE 425.0436 425.0436 425.0436 425.0436
4 OXYLENE 214.6685 214.6685 214.6685 214.6685
5 EBZN 199.6417 199.6417 199.6417 199.6417
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 963.0064 4947.3135 4947.3135 1577.9784

1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 3984.3071 0.0000 0.0000 3369.3351
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR
3984.3071 0.0000 0.0000 3369.3351
TOTAL RATE, LB/HR 4947.3135 4947.3135 4947.3135 4947.3135
TEMPERATURE, F -95.0000 75.0000 0.0000 0.0000

PRESSURE, PSIA 16.0000 16.0000 15.0000 15.0000
ENTHALPY, MM BTU/HR -0.4712 0.0847 -0.0634 -0.2853

STREAM ID 9 10 13 14
NAME
FLUID RATES, LB/HR

1 TOLU 13.1611 13.1611 2026.8310 2026.8310
2 PXYLENE 137.7860 3507.1211 1864.7958 1864.7958
3 MXYLENE 86.8629 86.8629 13377.0846 13377.0846
4 OXYLENE 43.8702 43.8702 6756.1033 6756.1033
5 EBZN 40.7993 40.7993 6283.1761 6283.1761
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 322.4795 3691.8145 30307.9908 30307.9908

1 TOLU 0.0000 0.0000 0.0000 0.0000
2 PXYLENE 3369.3351 0.0000 0.0000 0.0000
3 MXYLENE 0.0000 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR 3369.3351 0.0000 0.0000 0.0000
TOTAL RATE, LB/HR 3691.8145 3691.8145 30307.9908 30307.9908
TEMPERATURE, F 0.0000 75.0000 -95.0000 -94.5759

PRESSURE, PSIA 15.0000 15.0000 16.0000 66.0000
ENTHALPY, MM BTU/HR -0.2694 0.0631 -1.4634 -1.4587

STREAM ID 15 16 17
NAME
THERMO ID IDEA01 IDEA01 IDEA01
FLUID RATES, LB/HR

1 TOLU 2026.8941 51.2395 51.2395
2 PXYLENE 1864.8560 536.4380 536.4380
3 MXYLENE 13377.4995 338.1807 338.1807
4 OXYLENE 6756.3130 170.7983 170.7983
5 EBZN 6283.3706 158.8424 158.8424
6 ETLN 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000
TOTAL FLUID, LB/HR 30308.9331 1255.4990 1255.4990

1 TOLU 0.0000 0.0000 0.0000
2 PXYLENE 0.0000 0.0000 0.0000
3 MXYLENE 0.0000 0.0000 0.0000
4 OXYLENE 0.0000 0.0000 0.0000
5 EBZN 0.0000 0.0000 0.0000
6 ETLN 0.0000 0.0000 0.0000
7 C3 0.0000 0.0000 0.0000
TOTAL MW SOLID, LB/HR 0.0000 0.0000 0.0000
TOTAL RATE, LB/HR 30308.9331 1255.4990 1255.4990
TEMPERATURE, F 34.4960 0.0000 0.4229

PRESSURE, PSIA 64.0000 15.0000 65.0000
ENTHALPY, MM BTU/HR 0.0297 -0.0159 -0.0157
WEIGHT FRAC VAPOR 0.0000 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 1.0000 1.0000
WEIGHT FRAC MW SOLID 0.0000 0.0000 0.0000

Solid Attributes
STREAM ID 4 5 6 8
NAME
PHASE MIXED MIXED LIQUID MIXED
2 PXYLENE
PSD, MIC
0.000 - 10.00 4.020E-03 4.020E-03 0.0000 2.408E-05
10.00 - 25.00 0.1055 0.1055 0.0000 1.224E-03
25.00 - 50.00 0.4129 0.4129 0.0000 0.0138
50.00 - 75.00 0.3186 0.3186 0.0000 0.0399
75.00 - 100.0 0.1457 0.1457 0.0000 0.0684
100.0 - 250.0 0.0132 0.0132 0.0000 0.6325
250.0 - 500.0 1.293E-07 1.293E-07 0.0000 0.2409
0.500 - 1.000 E+03 4.413E-18 4.413E-18 0.0000 3.327E-03
1.000 - 5.000 E+03 0.0000 0.0000 0.0000 7.048E-19
5.000 - 10.00 E+03 0.0000 0.0000 0.0000 0.0000
STREAM ID 9
NAME
PHASE MIXED
THERMO ID IDEA01
2 PXYLENE
PSD, MIC
0.000 - 10.00 2.408E-05
10.00 - 25.00 1.224E-03
25.00 - 50.00 0.0138
50.00 - 75.00 0.0399
75.00 - 100.0 0.0684
100.0 - 250.0 0.6325
250.0 - 500.0 0.2409
0.500 - 1.000 E+03 3.327E-03
1.000 - 5.000 E+03 7.048E-19
5.000 - 10.00 E+03 0.0000


Section 6: Advanced
A1 - Cascade Refrigeration
A natural gas stream is cooled by two linked refrigeration circuits,
the first using a propane refrigerant and the second using ethane.
The flowsheet is shown in Figure A1-1.
Figure A1-1: Cascade Refrigeration Flow Sheet
A1 - Cascade Refrigeration Advanced 6-177

You have to simulate the existing system performance to establish a
base case model which can be used to investigate proposed opera-
tional changes.
ProcessData
The gas stream is cooled by the two refrigeration units, COO1 and
COO2, as well as by its own vapor. It is then flashed to remove a
high purity methane stream and reduce the temperature of the liquid
for storage. The ethane circuit is cooled by exchange with the pro-
pane, and heat is removed from the propane by an air cooled
exchanger.
The refrigeration units operate with a temperature approach
between the hot inlet and cold outlet of 3 F. The hot outlet/cold inlet
temperature approach on the exchanger HXT is 20 F and the hot
inlet/cold outlet approach is 130 F. The air cooler outlet temperature
is set at its winter value of 75 F.
The composition and conditions of the natural gas feed stream are
shown in Table A1-1.
Table A1-1: Feed Stream 1 Information
Component Rate, % Component Rate, %
Methane 90.93 n-Butane 0.57
Ethane 5.04 iso-pentane 0.18
Propane 1.90 n-Pentane 0.20
iso-Butane 0.52 n-Hexane 0.79
Rate, lb-moles/hour 100.00
Methods and Data

The Peng-Robinson equation of state is used for equilibrium,
enthalpy and vapor density calculations together with Lee-Kesler
for liquid densities.
SimulationModel
The process shown in Figure A1-1 contains two closed refrigeration
loops, each equipped with a compressor and let-down valve. Closed
loops can be modeled by PRO/II. Each loop must be initialized at
some point, and the conditions and flow rate are then calculated to
meet performance specifications on the units.
6-178 Advanced A1 - Cascade Refrigeration

In the propane circuit, the flow rate is calculated to meet the
required approach temperature on exchanger COO1. Stream 10 is
initialized with the known temperature and pressure from the air
cooler and an estimate for the flow rate. A controller is used to vary
the flow rate in order to meet the approach specification. Similarly,
stream 18 is initialized in the ethane loop and varied to meet the
COO2 approach temperature.
The hot outlet/cold inlet temperature approach on exchanger HXT
is specified in the exchanger calculation. There is also a hot inlet/
cold outlet approach specification between streams 15 and 17, and a
controller is used to vary the split ratio in unit SPL1 to meet it.
The natural gas stream is also cooled by the vapor portion of the
feed. The computation time can be considerably reduced by a sim-
ple reordering of the calculation. The compositions of streams 3 and
5 are referenced to the feed stream, 1, in the Stream Data section,
and the pressures and temperatures are estimated. F1 and HX2 can
now be solved first, followed by the ethane and then the propane
circuit.
Input Data
This simulation uses the default set of English dimensional units.
The reference stream facility in the Stream Data Section sets the
composition and rate of streams 3 and 5 equal to those of stream 1.
The flowrates of streams 10 and 18 (the propane and ethane loop
initializations) entered on the PROP statements are only estimates
which will be changed during the calculation.
In the ethane circuit, the circulation rate is controlled with CNT1 to
meet the temperature approach specification between streams 5 and
19. Stream 19 is vaporized in heat exchanger COO2 and stream 20
is set to its dew point. When both a liquid fraction and a flow rate
are to be specified for an exchanger, it is good practice to specify
the flowrate, rather than the liquid fraction, with the controller.
In the propane circuit, controller CNT2 calculates the propane rate
to meet the approach temperature between streams 3 and 13, and
CNT3 determines the split ratio to meet the approach specification
between streams 15 and 17.

Input Data File

TITLE PROJECT=Appbriefs, PROBLEM=A1, USER=SIMSCI
PRINT INPUT=ALL
SEQUENCE DEFINED=F1,HX2,C2V,COO2,CNT1,C2CO,HX1, &
C3V,SPL1,COO1,HXT,CNT2_3,MIX1,C3CO,HXT1,F2
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5/8,NC6, &
ASSAY CONVERS=API94, CURVEFIT=CURRENT, KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=API, SET=PR01
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=100, PRESS=700, PHASE=M, &
RATE(M)=100, COMP(M)=1,0.9083/2,0.0504/3,0.019/ &
4,0.0052/5,0.0057/6,0.0018/7,0.002/8,0.0079
PROPERTY STREAM=10, TEMP=75, PRESS=245, PHASE=M, &
PROPERTY STREAM=18, TEMP=-20, PRESS=620, PHASE=M, &
PROPERTY STREAM=3, TEMP=-37, PRESS=680, REFSTREAM=1
PROPERTY STREAM=5, TEMP=-105, PRESS=670, REFSTREAM=1
UNIT OPERATIONS
FLASH UID=F1, NAME=PREFLASH
FEED 5
PRODUCT V=21, L=6
ADIABATIC DP=0
HX UID=HX2, NAME=GAS-GAS-HX2
CONFIGURE COUNTER
OPER TMIN=10
FLASH UID=C2V, NAME=C2 THROTTLE
FEED 18
PRODUCT V=19
ADIABATIC TEMPERATURE=-108
HX UID=COO2, NAME=COOLER-2
HOT FEED=4, V=5
COLD FEED=19, V=20
CONFIGURE COUNTER
OPER CLFRAC=0
CONTROLLER UID=CNT1, NAME=C2 RATE
SPEC STREAM=5, TEMPERATURE(F), MINUS, STREAM=19, &
TEMPERATURE(F), VALUE=3, ATOLER=0.01
CPARAMETER IPRINT, SOLVE
COMPRESSOR UID=C2CO, NAME=C2-RECY-COMP
FEED 20
PRODUCT V=17
HX UID=HX1, NAME=GAS-GAS-HX1
CONFIGURE COUNTER
OPER TMIN=10
FLASH UID=C3V, NAME=C3 THROTTLE
FEED 10
PRODUCT V=11A, L=11
ADIABATIC TEMPERATURE=-40
SPLITTER UID=SPL1, NAME=C3-RECY-SPLT
FEED 11
PRODUCT M=12, M=13
OPERATION OPTION=FILL
SPEC STREAM=13, RATE(LBM/H),TOTAL,WET, DIVIDE, &
STREAM=11, RATE(LBM/H),TOTAL,WET, VALUE=0.45
HX UID=COO1, NAME=COOLER-1
COLD FEED=13, V=14
CONFIGURE COUNTER
OPER CLFRAC=0
HX UID=HXT, NAME=LOOPS EXCH
COLD FEED=11A,12, V=15, DP=5
CONFIGURE COUNTER
OPER HOCI=20
MVC UID=CNT2_3
SPEC ID=SPEC_4, STREAM= 3, TEMP(F), MINUS, &
STREAM=13, TEMP(F), VALUE=3, &
ATOLER=0.01
SPEC ID=SPEC_5, STREAM=15, TEMP(F), MINUS, &
STREAM=17, TEMP(F), VALUE=-130, &
ATOLER=0.01
VARY SPLITTER=SPL1, SPEC(1)
MIXER UID=MIX1, NAME=C3-RECY-MIX
FEED 14,15
PRODUCT M=16
COMPRESSOR UID=C3CO, NAME=C3-RECY-COMP
FEED 16
PRODUCT V=9
FLASH UID=HXT1, NAME=AIR COOLER
FEED 9
PRODUCT L=10
ISO TEMPERATURE=75, DP=0
FLASH UID=F2, NAME=NGL SEPARATR
FEED 6
PRODUCT V=7, L=8
END
Results
The flowsheet solves in two recycle trials. The reordering of the
calculation described above reduces the computation time to less
than 20% of that required if the simulation starts at unit HX1.
Conclusions
A base case model has been set up to model the existing perfor-
mance, and the refrigerant rates have been established. These rates
can now be fixed for studies of other operating conditions. Alterna-
tively, the existing model can be used to determine how much
refrigerant would be required for other cooling duties.
Output
Selected PRO/II output is shown below. This includes the flash
summaries, which show the throttle valves, the compressors, the
gas refrigeration exchangers, and the stream output.

Flash Summary
FLASH ID F1 C2V C3V HXT1
NAME PREFLASH C2 THROTTLE C3 THROTTLE AIR COOLER
FEEDS 5 18 10 9
PRODUCTS MIXED 19
VAPOR 21 11A
LIQUID 6 11 10
TEMPERATURE, F -104.995 -108.000 -40.000 75.000

PRESSURE, PSIA 670.000 25.470 16.161 250.000
PRESSURE DROP, PSI 0.000 594.530 233.839 0.000
MOLE FRAC VAPOR 0.25946 0.27416 0.36811 0.00000
MOLE FRAC LIQUID 0.74054 0.72584 0.63189 1.00000
MOLE FRAC MW SOLID 0.00000 0.00000 0.00000 0.00000
DUTY, MM BTU/HR 0.00000 0.00000 0.00000 -0.86232
FLASH TYPE ADIABATIC-P ADIABATIC-T ADIABATIC-T ISOTHERMAL
FLASH ID F2
NAME NGL SEPARATR
FEEDS 6
PRODUCTS VAPOR 7
LIQUID 8
MOLE FRAC LIQUID 0.60195
FLASH TYPE ADIABATIC-P

Ethane Recycle Compressor

Unit 6, 'C2CO', 'C2-RECY-COMP'
Feeds 20
Products Vapor 17

----------- ----------- -----------
TEMPERATURE, F -108.00 188.54 251.21
PRESSURE, PSIA 25.47 625.00 625.00
CP, BTU/LB-MOL-F 10.5001 17.7829
CV, BTU/LB-MOL-F 8.2054 13.7956
CP/(CP-R) 1.2332 1.1257
CP/CV 1.2797 1.2890
HEAD, FT
ADIABATIC 70482.43
POLYTROPIC 79756.33
ACTUAL 99271.03
WORK, HP
THEORETICAL 44.84
POLYTROPIC 50.74
ACTUAL 63.15


Ethane Refrigeration Exchanger

UNIT 4, 'COO2', 'COOLER-2'

LMTD, F 17.986
F FACTOR (FT) 1.000
MTD, F 17.986
U*A, BTU/HR-F 10363.148

----------- -----------
FEED 4
MIXED PRODUCT 5
VAPOR, LB-MOL/HR 92.816 25.903
M LB/HR 1.583 0.424
CP, BTU/LB-F 0.781 1.996
M LB/HR 0.268 1.427
CP, BTU/LB-F 0.573 1.174
TOTAL, LB-MOL/HR 100.000 100.000
M LB/HR 1.851 1.851
TEMPERATURE, F -52.545 -104.998

----------- -----------
FEED 19
VAPOR PRODUCT 20
M LB/HR 0.345 1.259
CP, BTU/LB-F 0.349 0.349
M LB/HR 0.914
CP, BTU/LB-F 0.583
M LB/HR 1.259 1.259
VAPORIZATION, LB-MOL/HR 30.394
TEMPERATURE, F -108.000 -108.000

Propane Refrigeration Exchanger

LMTD, F 29.147
F FACTOR (FT) 1.000
MTD, F 29.147
U*A, BTU/HR-F 4967.365

----------- -----------
FEED 2
MIXED PRODUCT 3
M LB/HR 1.837 1.630
CP, BTU/LB-F 0.605 0.731
M LB/HR 1.363E-02 0.221
CP, BTU/LB-F 0.551 0.556
TOTAL, LB-MOL/HR 100.000 100.000
M LB/HR 1.851 1.851
TEMPERATURE, F 67.226 -36.998

----------- -----------
FEED 13
VAPOR PRODUCT 14
VAPOR, LB-MOL/HR 18.096
M LB/HR 0.798
CP, BTU/LB-F 0.336
M LB/HR 0.798
CP, BTU/LB-F 0.517
M LB/HR 0.798 0.798
TEMPERATURE, F -40.000 -40.000

Propane/Ethane Loop Exchanger

Unit 11, 'HXT', 'LOOPS EXCH'

LMTD, F 58.764
** WARNING ** The LMTD correction factor (FT)
has been set to 0.0001.
MTD, F 5.876E-03
U*A, BTU/HR-F 59061915.527

----------- -----------
FEED 17
LIQUID PRODUCT 18
M LB/HR 1.259
CP, BTU/LB-F 0.591
M LB/HR 1.259
CP, BTU/LB-F 0.685
M LB/HR 1.259 1.259

----------- -----------
FEEDS 11A
12
VAPOR PRODUCT 15
M LB/HR 1.130 2.271
CP, BTU/LB-F 0.336 0.428
M LB/HR 1.141
CP, BTU/LB-F 0.517
M LB/HR 2.271 2.271
TEMPERATURE, F -40.000 121.224

Stream Component Output

STREAM ID 1 2 3 4
NAME
PHASE VAPOR MIXED MIXED MIXED

1 C1 90.8028 90.8028 90.8028 90.8028
2 C2 5.0385 5.0385 5.0385 5.0385
3 C3 1.8994 1.8994 1.8994 1.8994
4 IC4 0.5198 0.5198 0.5198 0.5198
5 NC4 0.5698 0.5698 0.5698 0.5698
6 IC5 0.1799 0.1799 0.1799 0.1799
7 NC5 0.1999 0.1999 0.1999 0.1999
8 NC6 0.7898 0.7898 0.7898 0.7898
TEMPERATURE, F 100.0000 67.2261 -36.9984 -52.5454

PRESSURE, PSIA 700.0000 690.0000 680.0000 670.0000
ENTHALPY, MM BTU/HR 0.1977 0.1605 0.0157 -8.9310E-03
MOLE FRAC VAPOR 1.0000 0.9978 0.9462 0.9282
MOLE FRAC LIQUID 0.0000 2.2197E-03 0.0538 0.0718
STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID VAPOR LIQUID

1 C1 90.8028 65.3483 29.3299 36.0184
2 C2 5.0385 4.6244 0.1404 4.4840
3 C3 1.8994 1.8396 6.0665E-03 1.8335
4 IC4 0.5198 0.5118 3.3822E-04 0.5114
5 NC4 0.5698 0.5635 1.7847E-04 0.5633
6 IC5 0.1799 0.1791 7.6429E-06 0.1791
7 NC5 0.1999 0.1991 7.5127E-06 0.1991
8 NC6 0.7898 0.7884 3.7040E-06 0.7884
TEMPERATURE, F -104.9983 -104.9946 -158.7465 -158.7465

PRESSURE, PSIA 670.0000 670.0000 250.0000 250.0000
ENTHALPY, MM BTU/HR -0.1953 -0.1722 -0.0186 -0.1536
MOLE FRAC VAPOR 0.2590 0.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.7410 1.0000 0.0000 1.0000

Stream Component Output (Continued)

STREAM ID 9 10 11 11A
NAME
PHASE VAPOR LIQUID LIQUID VAPOR

1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 0.0000 0.0000 0.0000
3 C3 69.5937 69.5937 43.9754 25.6183
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000
TEMPERATURE, F 351.2905 75.0000 -40.0000 -40.0000

PRESSURE, PSIA 250.0000 250.0000 16.1613 16.1613
ENTHALPY, MM BTU/HR 0.9503 0.0880 -0.0739 0.1619
MOLE FRAC VAPOR 1.0000 0.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.0000 1.0000 1.0000 0.0000
STREAM ID 12 13 14 15
NAME
PHASE LIQUID LIQUID VAPOR VAPOR

1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 0.0000 0.0000 0.0000
3 C3 25.8790 18.0964 18.0964 51.4973
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000
TEMPERATURE, F -40.0000 -40.0000 -40.0000 121.2238

PRESSURE, PSIA 16.1613 16.1613 16.1613 11.1613
ENTHALPY, MM BTU/HR -0.0435 -0.0304 0.1144 0.4655
MOLE FRAC VAPOR 0.0000 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 1.0000 0.0000 0.0000


STREAM ID 16 17 18 19
NAME
PHASE VAPOR VAPOR LIQUID MIXED
1 C1 0.0000 0.0000 0.0000 0.0000
2 C2 0.0000 41.8747 41.8747 41.8747
3 C3 69.5937 0.0000 0.0000 0.0000
4 IC4 0.0000 0.0000 0.0000 0.0000
5 NC4 0.0000 0.0000 0.0000 0.0000
6 IC5 0.0000 0.0000 0.0000 0.0000
7 NC5 0.0000 0.0000 0.0000 0.0000
8 NC6 0.0000 0.0000 0.0000 0.0000
TOTAL RATE, LB-M/HR 69.5937 41.8747 41.8747 41.8747
TEMPERATURE, F 82.6636 251.2149 -20.0000 -108.0000

PRESSURE, PSIA 11.1613 625.0000 620.0000 25.4704
ENTHALPY, MM BTU/HR 0.5799 0.2938 -0.0533 -0.0533
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 0.2742
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 0.7258
STREAM ID 20 21 22 23
NAME
1 C1 0.0000 25.4544 25.4544 25.4544
2 C2 41.8747 0.4141 0.4141 0.4141
3 C3 0.0000 0.0599 0.0599 0.0599
4 IC4 0.0000 8.0672E-03 8.0672E-03 8.0672E-03
5 NC4 0.0000 6.3451E-03 6.3451E-03 6.3451E-03
6 IC5 0.0000 8.0746E-04 8.0746E-04 8.0746E-04
7 NC5 0.0000 8.6218E-04 8.6218E-04 8.6218E-04
8 NC6 0.0000 1.3649E-03 1.3649E-03 1.3649E-03
TEMPERATURE, F -108.0000 -104.9946 -47.0005 90.0000

PRESSURE, PSIA 25.4704 670.0000 665.0000 660.0000
ENTHALPY, MM BTU/HR 0.1331 -0.0231 1.5771E-03 0.0388
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0000

A2 - Phenol Distillation
A new set of operating conditions has been proposed for an existing
distillation train to produce a 99.95 weight % pure phenol product
from a feed containing predominantly acetone, phenol, and water.
You have been asked to establish the feasibility of the new condi-
tions and to determine the material and heat balances.
Process Data
The separation is carried out in five distillation columns as shown in
the flowsheet in Figure A2-1.
Figure A2-1: Phenol Separation Flowsheet
Most of the acetone is removed in the vapor product from the first
column, T1, and the water is removed in column T3. The other
unwanted components are removed in columns T2 and T4.
The phenol product is the taken overhead from T5. To obtain the
required product purity, a considerable amount of phenol remains in
the bottom product of T5, and recycles back to T2.
A2 - Phenol Distillation Advanced 6-191

Small amounts of phenol are lost in the products from T2 and T4.
The water product from T3 contains only trace amounts of phenol.
The feed composition and thermal condition are shown in Table
A2-1.
Table A2-1: Feed Stream 1 Information
Component kg/hr Component kg/hr
Acetone 3547.0 Dimethylphenyl 89.2
carbinol
Phenol 4772.0 Acetophenone 36.9
Mesityl Oxide 13.8 Dimer alpha 288.1
methylstyrene
Cumene 272.0 Cumyl phenol 330.5
Alpha 169.5 Water 1005.0
Methylstyrene
Pressure, torr 760.0
Thermal Condition: Bubble point liquid
Columns T2, T3 and T5 operate at pressure of 100 torr. T1 operates

at 760 torr and T4 at 280 torr. The acetone and phenol products are
taken as vapor. The other column overheads are at bubble point.
The proposed operating conditions for the separation are in Table
A2-2. .
Table A2-2: Column Operating Specifications
Column ID Specification Value
Reflux/Feed Ratio 0.78
T1
Overhead Product Rate 4500 kg/hr
T2
Overhead Product Rate 0.6 %
T3
Overhead Product Rate 160 kg/hr
T4
Phenol Loss in Bottoms Stream 1%
T5
Phenol Purity 99.95 wt %
6-192 Advanced A2 - Phenol Distillation

Methods and Data

Vapor pressure data are used to predict the K-values for most of the
components in the system because of the low pressure and the ideal-
ity of most of the pairs. The K-values of the four non-ideal binary
pairs are predicted using the NRTL liquid activity equation.
Ideal values for liquid enthalpy, latent heat, and liquid density are
taken from the Component Library, and vapor properties are also
assumed to be ideal. These data are suitable because the system is at
low pressure and always at equilibrium conditions.
All the components in the simulation are in the PRO/II Component
Library except for dimer alpha methylstyrene. Data for this missing
component are provided as part of the input. The data required by
the selected thermodynamic system are the liquid enthalpy, latent
heat, vapor pressure, liquid density, molecular weight, boiling
point, and specific gravity. Enthalpy and density data are entered as
tabular data, and vapor pressure as Antoine coefficients.
Simulation Model
The performance specifications in Table A2.2 are imposed directly
on the relevant column. The reboiler and condenser duties are cal-
culated to satisfy the specifications.
The phenol loss in columns T2 and T4 is specified as the ratio of the
flow rate of phenol in the product to the rate in the feed to the flow-
sheet. All the reflux specifications are with respect to the feed to the
column rather than to the distillate rate.
Input Data
The simulation uses metric units with pressure as torr. Weight flow
rate and composition outputs are requested, as all specified rates are
in kg/hr.
The estimate for the recycle stream is supplied to reduce the calcu-
lation time.
The PROPTABLES=BRIEF option is used in all the columns to
limit the output to column summary only.
Input Data File

TITLE PROBLEM=A2, PROJECT=APPBRIEFS, USER=SIMSCI
PRINT INPUT=ALL, RATE=M,WT, FRACTION=M,WT
DIMENSION METRIC, PRES=TORR
SEQUENCE SIMSCI

COMPONENT DATA
LIBID 1,ACETONE/2,PHENOL/3,MO/4,CUMENE/5,AMST/6,ACPH/7,2P2P/ &
9,PCPHENOL/10,H2O, BANK=SIMSCI,PROCESS
NONLIB 8,D-A-METHSTYR
MWAVG 8,236.36
SPGR 8,0.912
NBP 8,308
TC 8,489.52
PC 8,12707
VC(M) 8,908.66
VP(L,K,TORR) CORRELATION=21,LN, DATA=8,,,14.47,-3546,-172.2
LATENT(C,KCAL/KG,WT) TABULAR=25,100/8,90,73
ENTHALPY(L,C,KCAL/KG,WT) TABULAR=25,100/8,242,262
DENSITY(L,C,KG/M3,WT) TABULAR=25,100/8,723,698
THERMODYNAMIC DATA
METHOD KVAL(VLE)=NRTL, TRANSPORT=NONE, PHI=IDEAL, &
ENTHALPY(L)=IDEAL, ENTHALPY(V)=IDEAL, DENSITY(L)=IDEAL, &
DENSITY(V)=IDEAL, SET=NRTL01
KVAL(VLE) POYNTING=OFF, FILL=IDEAL, BANK=NONE, AZEOTROPE=NONE
NRTL 1,10,0,316.145,0,602.96,0.5341
NRTL 2,5,0,-0.3505,0,314.23,0.3006
NRTL 2,10,0,142.258,0,1200.36,0.4942
NRTL 1,2,0,-379.902,0,-141.09,0.3086
STREAM DATA
PROPERTY STREAM=1, PRESS=760, PHASE=L, COMPOSITION(WT,KG/H)=1, &
3547/2,4772/3,13.8/4,272/5,169.5/6,89.2/7,36.9/8,288.1/ &
9,330.5/10,1005
COMPOSITION(WT,KG/H)=2,4700/6,700/7,50
NAME 1,FEED/4,RECYCLE/3,T1 OVHD/2,T1 BTMS/6,T2 OVHD/7,T2 BTMS/ &
5,T2 FEED/8,T3 OVHD/10,T3 BTMS/11,T4 BTMS
NAME 12,T4 OVHD/15,PHENOL PROD/13,T5 LIQ FD/14,T5 VAP FD
UNIT OPERATIONS
COLUMN UID=T1, NAME=COLUMN 1
PARAMETER TRAY=10,CHEMDIST
FEED 1,5
CONDENSER TYPE=PART
DUTY 1,1,,CONDENSER
DUTY 2,10,,SIDEHC2
PSPEC PTOP=760
ESTIMATE MODEL=CONVENTIONAL, REFLUX(L)=140
SPEC ID=COL1SPEC1, STREAM=3, RATE(WT,KG/H), TOTAL, WET, &
VALUE=4500
SPEC ID=COL1SPEC2, TRAY=1, RATE(KGM/H), PHASE=L,WET, DIVIDE, &
STREAM=1, RATE(KGM/H),TOTAL,WET, VALUE=0.78
TOLERANCE ENTHALPY=0.01
VLLECHECK CHECK=OFF
FLASH UID=F1, NAME=FEED MIX
FEED 2,4
PRODUCT L=5
ISO TEMPERATURE=114, PRESSURE=100
FEED 5,11
CONDENSER TYPE=BUBB
DUTY 1,1,,CONDENSER
DUTY 2,17,,SIDEHC2
PSPEC PTOP=100
SPEC ID=COL2SPEC2, STREAM=7, RATE(KGM/H), COMP=2,WET, DIVIDE, &
STREAM=1, RATE(KGM/H), COMP=2,WET, VALUE=0.006
VLLECHECK CHECK=OFF
FEED 6,11
CONDENSER TYPE=BUBB
DUTY 1,1,,CONDENSER
DUTY 2,14,,SIDEHC2
PSPEC PTOP=100, DPTRAY=5
SPEC ID=COL3SPEC2, STREAM=8, RATE(WT,KG/H),TOTAL,WET, &
VALUE=160
VLLECHECK CHECK=OFF
FEED 10,12
CONDENSER TYPE=BUBB
DUTY 1,1,,CONDENSER
DUTY 2,17,,SIDEHC2
PSPEC PTOP=280
STREAM=10, RATE(KGM/H),TOTAL,WET, VALUE=50
SPEC ID=COL4SPEC2, STREAM=12, RATE(KGM/H), COMP=2,WET, DIVIDE, &
STREAM=1, RATE(KGM/H), COMP=2,WET, VALUE=0.01
VLLECHECK CHECK=OFF
VALVE UID=V1, NAME=VALVE
FEED 11
PRODUCT V=14, L=13
FEED 13,11/14,10
CONDENSER TYPE=PART
DUTY 1,1,,CONDENSER
DUTY 2,20,,SIDEHC2
PSPEC PTOP=100
REFFEED, RATE(KGM/H),WET, VALUE=3
SPEC ID=COL5SPEC2, STREAM=15,FRACTION(WT), COMP=2,WET, &
VALUE=0.9995
VLLECHECK CHECK=OFF
END
Results
The simulation meets all the specifications, and therefore verifies
the proposed operating conditions are feasible as long as the column
duties can be met.
Output
Results are included for flash drum F1, which maintains a constant
temperature and pressure of the recycle. The output for columns T1
and T5 and the stream weight rates and component weight rates are
shown. These give the required heat and material balances on the
flowsheet.

Flash Drum Summary

FLASH ID F1
NAME FEED MIX
FEEDS 2
4
PRODUCTS MIXED 5
TEMPERATURE, C 114.000
PRESSURE, TORR 100.000
PRESSURE DROP, TORR 0.000
DUTY, M*KCAL/HR -0.03331
FLASH TYPE ISOTHERMAL
VALVE SUMMARY
VALVE ID V1
NAME VALVE
FEEDS 11
PRODUCTS VAPOR 14
LIQUID 13
TEMPERATURE, C 121.225
PRESSURE, TORR 100.000
PRESSURE DROP, TORR 180.000

Column T1 Output
Unit 1, 'T1', 'COLUMN 1'
CHEM METHOD 9
COLUMN SUMMARY ---------- NET FLOW RATES ----------- HEATER

DEG C TORR KG-MOL/HR M*KCAL/HR
------ ------- -------- -------- -------- --------- --------- ------------
1C 80.6 760.00 136.6 113.5V -1.3705
2 91.7 760.00 137.8 250.1
3 92.3 760.00 137.9 251.3
4 92.4 760.00 137.6 251.3
5 93.3 760.00 306.2 251.1 175.2L
6 97.7 760.00 304.4 244.5
7 99.3 760.00 303.4 242.7
8 100.2 760.00 301.0 241.7
9 105.8 760.00 270.9 239.3
10R 150.3 760.00 209.2 61.7L 2.5297

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 1 LIQUID 5 1.0000 175.19 0.5405
PROD 3 VAPOR 1 113.46 1.1608
PROD 2 LIQUID 10 61.73 0.5389

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM 3 1 WT RATE 4.500E+03 4.500E+03
2 (ACTIVE) TRAY LIQ 1 MOL RATIO 7.800E-01 7.800E-01

--------- --------- ---------

Column T5 Output
Unit 7, 'T5', 'COLUMN 5'
CHEM METHOD 17
COLUMN SUMMARY ---------- NET FLOW RATES ----------- HEATER

DEG C TORR KG-MOL/HR M*KCAL/HR
------ ------- -------- -------- -------- --------- --------- ------------
1C 120.8 100.00 406.3 49.5V -4.9676
2 120.8 100.00 406.4 455.9
3 120.8 100.00 406.4 455.9
4 120.8 100.00 406.4 455.9
5 120.8 100.00 406.4 455.9
6 120.8 100.00 406.4 455.9
7 120.8 100.00 406.4 455.9
8 120.9 100.00 406.5 456.0
9 120.9 100.00 406.5 456.0
10 121.0 100.00 406.6 456.1 17.5V
11 121.0 100.00 524.6 438.7 118.0L
12 121.0 100.00 524.6 438.7
13 121.0 100.00 524.6 438.7
14 121.0 100.00 524.6 438.7
15 121.0 100.00 524.6 438.7
16 121.0 100.00 524.7 438.7
17 121.1 100.00 524.7 438.7
18 121.1 100.00 524.9 438.8
19 121.2 100.00 525.1 438.9
20R 121.4 100.00 439.2 85.9L 5.3596
TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 14 VAPOR 10 0.0000 17.47 0.3186
FEED 13 LIQUID 11 1.0000 117.98 0.7124
PROD 15 VAPOR 1 49.51 0.9020
PROD 4 LIQUID 20 85.93 0.5209


Unit 7, 'T5', 'COLUMN 5' (Continued)

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) TRAY LIQ 1 MOL RATIO 3.000E+00 3.000E+00
2 (ACTIVE) STRM 15 1 2 WT FRACTION 9.995E-01 9.995E-01

--------- --------- ---------
Stream Component Weight Rates

STREAM ID 1 2 3 4
NAME FEED T1 BTMS T1 OVHD RECYCLE
PHASE LIQUID LIQUID VAPOR LIQUID
THERMO ID NRTL01 NRTL01 NRTL01 NRTL01
FLUID RATES, KG/HR

1 ACETONE 3547.0000 9.4078 3537.5908 1.7221E-13
2 PHENOL 4772.0000 4752.6583 19.3417 7532.8802
3 MO 13.8000 13.7776 0.0224 1.0337E-13
4 CUMENE 272.0000 271.9858 0.0164 6.8921E-07
5 AMST 169.5000 169.4983 4.8378E-03 1.0988E-08
6 ACPH 89.2000 89.2000 6.1882E-06 680.0463
7 2P2P 36.9000 36.9000 9.4023E-07 31.8732
8 D-A-METHSTYR 288.1000 288.1000 1.8574E-16 0.0000
9 PCPHENOL 330.5000 330.5000 3.5564E-14 0.0000
10 H2O 1005.0000 61.9722 943.0274 0.0000
TOTAL RATE, KG/HR 10524.0000 6024.0000 4500.0036 8244.7998
TEMPERATURE, C 81.4090 150.2526 80.6470 121.4462

PRESSURE, TORR 760.0000 760.0000 760.0000 100.0000

Stream Component Weight Rates (Continued)

STREAM ID 5 6 7 8
NAME T2 FEED T2 OVHD T2 BTMS T3 OVHD
FLUID RATES, KG/HR
1 ACETONE 9.4078 9.4077 4.2056E-11 9.3758
2 PHENOL 12267.3158 12238.6866 28.6320 0.0279
3 MO 13.7776 13.7776 1.4455E-07 13.3729
4 CUMENE 271.9858 271.9846 2.5245E-04 68.5726
5 AMST 169.4983 169.4975 2.2310E-04 6.6797
6 ACPH 767.6645 682.2976 85.3663 1.4141E-06
7 2P2P 68.8017 31.8799 36.9219 9.0152E-09
8 D-A-METHSTYR 288.1000 3.3893E-15 288.0999 0.0000
9 PCPHENOL 330.5000 3.0441E-15 330.4998 0.0000
10 H2O 61.9722 61.9720 1.4413E-11 61.9712
TOTAL RATE, KG/HR 14249.0237 13479.5036 769.5204 160.0000
TEMPERATURE, C 114.0000 102.6882 164.1510 36.6708
PRESSURE, TORR 100.0000 100.0000 100.0000 100.0000
ENTHALPY, M*KCAL/HR 1.0253 0.7126 0.1190 3.8531E-03
STREAM ID 10 11 12 13
NAME T3 BTMS T4 BTMS T4 OVHD T5 LIQ FD
FLUID RATES, KG/HR
1 ACETONE 0.0320 9.4733E-09 0.0320 3.8993E-09
2 PHENOL 12238.6603 12190.9408 47.7200 10594.2777
3 MO 0.4047 1.4247E-06 0.4047 7.5550E-07
4 CUMENE 203.4113 0.0661 203.3452 0.0451
5 AMST 162.8172 8.5267E-03 162.8087 5.4524E-03
6 ACPH 682.2970 682.2957 7.5067E-04 623.2662
7 2P2P 31.8798 31.8797 3.2321E-06 29.6785
8 D-A-METHSTYR 0.0000 0.0000 0.0000 0.0000
9 PCPHENOL 0.0000 0.0000 0.0000 0.0000
10 H2O 8.7606E-04 1.4383E-14 8.7606E-04 2.0145E-15
TOTAL RATE, KG/HR 13319.5032 12905.1908 414.3122 11247.2729
TEMPERATURE, C 132.2447 149.4935 125.0302 121.2252
PRESSURE, TORR 160.0000 280.0000 280.0000 100.0000

Stream Component Weight Rates (Continued)

STREAM ID 14 15
NAME T5 VAP FD PHENOL PROD
PHASE VAPOR VAPOR
THERMO ID NRTL01 NRTL01
FLUID RATES, KG/HR

1 ACETONE 5.5740E-09 9.4733E-09
2 PHENOL 1596.6631 4658.0607
3 MO 6.6918E-07 1.4247E-06
4 CUMENE 0.0210 0.0661
5 AMST 3.0743E-03 8.5266E-03
6 ACPH 59.0295 2.2492
7 2P2P 2.2012 6.3550E-03
8 D-A-METHSTYR 0.0000 0.0000
9 PCPHENOL 0.0000 0.0000
10 H2O 1.2369E-14 0.0000
TOTAL RATE, KG/HR 1657.9179 4660.3909
TEMPERATURE, C 121.2252 120.7938

PRESSURE, TORR 100.0000 100.0000
ENTHALPY, M*KCAL/HR 0.3186 0.9020
WEIGHT FRAC VAPOR 1.0000 1.0000
WEIGHT FRAC LIQUID 0.0000 0.0000

A3 - HDS Reactor Section

A hydrodesulfurization reactor unit is used to remove sulfur com-
pounds from a hydrocarbon feed by converting them to hydrogen
sulfide (H2S) in the presence of an excess of hydrogen. Figure A3-1
illustrates the simulation flowsheet.
Only a small amount of the hydrogen is consumed per pass through
the reactor. Consequently, a large recycle is necessary to re-mix the
remaining hydrogen with the feed streams.
You must model the unit, including the reactor and high pressure
flash, to calculate the size of the recycle and the cooler and com-
pressor requirements. The actual reaction mechanisms involved are
not known, but reactor feed and product analyses in the laboratory
have determined the change in the amount of each component
within the reactor.
Process Data
The process flowsheet is shown in Figure A3-1. The reactor oper-
ates adiabatically and the product stream is used to preheat the feed.
A small quantity of the recycle gas is purged to prevent the buildup
of inert components in the system.
For the reactor to operate properly, its feed stream must contain 63
mole % hydrogen. This is achieved by controlling the flow rate of
the recycle hydrogen stream, 5.
A3 - HDS Reactor Section Advanced 6-203

Figure A3-1: Simulation Flowsheet
6-204 Advanced A3 - HDS Reactor Section

The compositions of the hydrocarbon and makeup hydrogen feeds
to the process are shown in Table A3-1.
Table A3-1: Feed Stream Information
Stream 1 Stream 2 Molecular
Component HC Feed Makeup API Weight
Hydrogen - 300.000
Total 1470.000 379.249
Temp, F 380.000 115.000
Pres, psia 715.000 715.000
Methane - 32.813
Ethane - 19.916
H2S - 14.071
Propane - 3.148
I-Butane - 3.793
N-Butane - 1.525
I-Pentane - 0.872
N-Pentane - 3.111
NBP 220 0.570 - 60.0 101
NBP 260 3.900 - 54.7 112
NBP 290 11.460 - 51.5 121
NBP 310 8.150 - 49.5 127
NBP 328 15.370 - 47.9 134
NBP 340 9.680 - 46.7 138
NBP 352 33.950 - 45.5 143
NBP 364 18.960 - 44.6 148
NBP 376 110.550 - 43.8 153
NBP 392 142.750 - 42.6 160
NBP 410 223.440 - 41.3 167
NBP 431 206.580 - 40.0 176
NBP 470 503.550 - 37.6 195
NBP 515 140.980 - 35.3 216
NBP 550 40.200 - 32.7 235

Table A3-2 lists the molar change in the reactor for each compo-
nent. Negative values are shown for reactants and positive values
for the products.
Table A3-2: Reactor Data
Molar Change Molar Change
Hydrogen -61.00 NBP 310 1.39
Methane 0.00 NBP 328 -0.03
Ethane 0.00 NBP 340 -0.02
H2S 4.66 NBP 352 -0.07
Propane 0.00 NBP 364 -0.04
I-Butane 0.00 NBP 376 -0.22
N-Butane 0.00 NBP 392 -0.29
I-Pentane 0.00 NBP 410 -0.45
N-Pentane 0.00 NBP 431 -0.41
NBP 220 0.11 NBP 470 -1.00
NBP 260 0.66 NBP 515 -0.28
NBP 290 1.88 NBP 550 -0.08
Table A3-3 lists several other important operating conditions of the

reactor.
Table A3-3: Reactor Operating Conditions
Parameter Value
Reactor Feed Pressure 725 psia
Reactor Operating Pressure 625 psia
Reactor Duty 0.0 (adiabatic)
Mole % Hydrogen in Reactor Feed 63.0%

Methods and Data

The hydrocarbon liquid feed is characterized as a number of petro-
leum fractions. The molecular weight, gravity and boiling point
data in Table A3-1 are entered for each fraction, and PRO/II calcu-
lates all other required properties using standard petroleum property
correlations.
Grayson-Streed is selected as the thermodynamic system. The
Grayson-Streed K-value correlation is an extension of the Chao-
Seader method, improved with the use of experimental data for
hydrogen and methane systems. This correlation is especially suit-
able for the simulation of hydrogen-rich streams such as those in
hydrotreaters and reformers.
Curl-Pitzer is used for enthalpies. Liquid densities are calculated
using the API method which is the most suitable for hydrocarbon
streams containing hydrogen.
Simulation Model
The feed to the reactor must be 63 mole % hydrogen. This is fixed
by a controller that varies the total flow rate of the recycle (stream
5).
A stream calculator (STCALC) unit is used to determine the purge
gas rate for splitter unit S2. The STCALC unit subtracts product
stream 11 from feed stream 2. To account for the hydrogen con-
sumed in the reactor, the difference between streams 8 and 9 is
added. Finally, all components except hydrogen are removed from
the product stream, H2, using a factor of zero on the FOVHD state-
ment. The flow rate of stream H2, created by the stream calculator,
is the rate of excess hydrogen which must be purged. The purge
stream is set by splitter S2, using stream H2 as the reference stream
for its specification.
The recycle (stream 5) is given an initial estimate in order to speed
the convergence. It is defined as pure hydrogen. The value of the
estimate for the flow rate is not important, as it is reset by the con-
troller. Wegstein acceleration is applied to the recycle.

Input Data
English units are used for the simulation. Stream output is requested
in both molar and weight units with percentages as well as flow
rates.
Stream 7, the feed to heater F1, is defined by reference to stream 6,
which allows the heater and reactor to execute before solving the
feed preheat exchanger, EX.
The available reactor data include the actual number of moles/hr of
each component consumed or created in the reactor. These are
entered directly as the stoichiometric coefficients. No base compo-
nent for the conversion is defined, which indicates to PRO/II that
these coefficients are the absolute number of moles that react.
The air cooler is not modelled separately, but is simulated as if it
were combined with the high pressure flash in unit F2.
Stream Calculator unit CAL1 computes the purge rate. Each compo-
nent in the streams on the FEED statement is multiplied by the asso-
ciated factor. This is +1 for streams being added and -1 for streams
being subtracted. The FOVHD statement defines the fraction of each
component going to the OVHD product. The splitter, S2, specifies
the hydrogen rate in the purge stream is the same as in stream H2.
Input Data File
TITLE PROJECT=AppBrief, PROBLEM=A3, USER=SIMSCI
DESC - HYDRODESULFURIZATION UNIT
DESC - REACTOR & HIGH PRESSURE FLASH
DESC -
DESC - MODIFIED TO USE REFSTREAMS TO AVOID REUSING STREAMS
DESC - 2, 8 AND 9.
DESC -
PRINT INPUT=ALL, RATE=M,W, PERCENT=M,W
COMPONENT DATA
LIBID 1,H2/2,C1/3,C2/4,H2S/5,C3/6,IC4/7,NC4/8,IC5/9,NC5 &
PETRO 10,NBP 220,101,60, 220/ 11,NBP 260,112,54.7,260/&
12,NBP 290,121,51.5,290/ 13,NBP 310,127,49.5,310/&
14,NBP 328,134,47.9,328/ 15,NBP 340,138,46.7,340/&
16,NBP 352,143,45.5,352/ 17,NBP 364,148,44.6,364/&
18,NBP 376,153,43.8,376/ 19,NBP 392,160,42.6,392/&
20,NBP 410,167,41.3,410/ 21,NBP 431,176,40, 431/&
22,NBP 470,195,37.6,470/ 23,NBP 515,216,35.3,515/&
24,NBP 550,235,32.7,550
ASSAY CURVEFIT = IMPR, CONVERSION = API94

THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROP STREAM=1,TEMP=380,PRES=715,RATE=1470,&
COMP=10,0.57/11,3.9/12,11.46/13,8.149/14,15.37/&
15,9.679/16,33.95/17,18.96/18,110.5/19,142.7/&
20,223.4/21,206.6/22,503.5/23,141/24,40.2
PROP STREAM=5,TEMP=170,PRES=715,COMP=10000
PROP STREAM=7,REFS=6,TEMP=565,PRES=710
PROP STREAM=2,TEMP=115,PRES=715,COMP=300/32.813/&
19.916/14.071/3.148/3.793/1.525/0.872/3.111
NAME 1,FEED HC/14,RECYCLE GAS/2,TOTAL MAKEUP/6,COMB FEED/&
5,RECYCLE GAS/8,RX INLET/9,RX PRODUCT/&
12,SEPARAT GAS/13,EXCESS-VENT/11,SEP NET LIQ
PROPERTY STREAM=2R, REFSTREAM=2
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-61/14,-0.03/15,-0.02/4,4.66/16,-0.07/17,-0.04/&
18,-0.22/19,-0.29/20,-0.45/21,-0.41/10,0.11/&
22,-1/11,0.66/23,-0.28/12,1.88/24,-0.08/13,1.39
UNIT OPERATIONS
MIXER UID=M1
FEED 1,2,5
PROD M=6
CONTROLL UID=CON1
SPEC STREAM=6,FRAC,COMP=1,VALUE=0.63,RTOL=0.001
VARY STREAM=5,RATE
FLASH UID=F1,NAME=FEED HEATER

FEED 7
PROD V=8
ISO TEMP=635,PRES=725
CONREACTOR UID=RX13,NAME=HDS REACTOR

FEED 8
PROD V=9
OPER ADIABATIC,PRES=625
RXSTOIC RXSET=1
REACTION 1

HX UID=EX,NAME=FEED PREHEAT
COLD FEED=6,L=7,DP=5
OPER CTEMP=565
FLASH UID=F2,NAME=HP FLASH

FEED 10
PROD V=12,L=11
ISO TEMP=100,PRES=525
STCALC UID=CAL1
FEED 2R,1/11,-1/9R,1/8R,-1
OVHD STREAM=H2,PRES=100,TEMP=100
BTMS STREAM=DUM1,PRES=100,TEMP=100
FOVHD 1,,1/2,24,0
OPER STOP=ZERO
SPLITTER UID=S2,NAME=VENT GAS

FEED 12
PROD M=13,M=14
SPEC STREAM=13,RATE,COMP=1,RATIO,STREAM=H2,VALUE=1
COMPRESS UID=COMP,NAME=RECY COMP

FEED 14
PROD V=5
OPER POLY=75,PRES=715,CALC=GPSA
RECYCLE DATA
ACCEL TYPE=WEGS,START=2
END
Results
The hydrogen recycle flow rate is 3072.6 lb mole/hr compared with
a hydrogen make-up flow of 379.2 lb mole/hr. The initial recycle
estimate of 10000 lb mole/hr is reduced to the correct value by the
controller in the first recycle trial.
The cooling duty is calculated by the high pressure flash as -63.1
MM Btu/hr. The compressor raises the pressure from 525 psia to
715 psia, and the work required is 601 HP.

Output
Selected portions of the PRO/II output show flash and splitter, recy-
cle compressor, HDS reactor, feed preheater, and stream component
output.
Flash Summary
FLASH ID F1 F2
NAME FEED HEATER HP FLASH
FEEDS 7 10
PRODUCTS MIXED 8
VAPOR 12
LIQUID 11

PRESSURE DROP, PSI -15.000 95.000
MOLE FRAC MW SOLID 0.00000 0.00000
DUTY, MM BTU/HR 20.73735 -61.08937
FLASH TYPE ISOTHERMAL ISOTHERMAL
Splitter Output
Unit 8, 'S2', 'VENT GAS'
------- RATES ------
STREAM ID FRACTION LB-MOL/HR LB/HR
--------- ---------- --------- ---------
FEED 12 3270.567 11861.945
PRODUCTS 13 0.0677 221.426 803.083

14 0.9323 3049.142 11058.862
PRESSURE DROP, PSIA 0.0000


Recycle Compressor
Unit 9, 'COMP', 'RECY COMP'
Feeds 14
Products Vapor 5

----------- ----------- -----------
TEMPERATURE, F 100.00 153.58 169.97
PRESSURE, PSIA 525.00 715.00 715.00
ENTHALPY, MM BTU/ 1.6363 2.7942 3.1552
CP, BTU/LB-MOL-F 7.1498 7.2293
CV, BTU/LB-MOL-F 5.0706 5.1336
CP/(CP-R) 1.3846 1.3787
CP/CV 1.4101 1.4082
WEIGHT % TOTAL SOLID 0.0000 0.0000 0.0000
HEAD, FT
ADIABATIC 81452.14
POLYTROPIC 80131.81
ACTUAL 106842.41
WORK, HP
THEORETICAL 455.09
POLYTROPIC 447.71
ACTUAL 596.95

CALCULATED FROM TEMPERATURE EQUATION

HDS Reactor
Unit 4, 'RX13', 'HDS REACTOR'
REACTOR TYPE ADIABATIC REACTOR
INLET OUTLET
----------- -----------
FEED 8
MIXED PRODUCT 9
PRESSURE, PSIA 725.0000 625.0000
REACTION DATA
-------- RATES, LB-MOL/HR ------- FRACTION
------------- --------- --------- ----------- ---------
1 H2 3085.8854 -61.0000 3024.8854 0.0198
2 C1 225.3572 0.0000 225.3572
3 C2 62.6839 0.0000 62.6839
4 H2S 36.9943 4.6600 41.6543
5 C3 5.5886 0.0000 5.5886
6 IC4 5.4169 0.0000 5.4169
7 NC4 1.8947 0.0000 1.8947
8 IC5 0.9638 0.0000 0.9638
9 NC5 3.3437 0.0000 3.3437
10 NBP 220 0.5752 0.1100 0.6852
11 NBP 260 3.9164 0.6600 4.5764
12 NBP 290 11.4870 1.8800 13.3670
13 NBP 310 8.1621 1.3900 9.5521
14 NBP 328 15.3849 -0.0300 15.3549 1.94997E-03
15 NBP 340 9.6864 -0.0200 9.6664 2.06475E-03
16 NBP 352 33.9706 -0.0700 33.9006 2.06060E-03
17 NBP 364 18.9691 -0.0400 18.9291 2.10869E-03
18 NBP 376 110.5422 -0.2200 110.3222 1.99019E-03
19 NBP 392 142.7404 -0.2900 142.4504 2.03166E-03
20 NBP 410 223.4459 -0.4500 222.9959 2.01391E-03
21 NBP 431 206.6299 -0.4100 206.2199 1.98422E-03
22 NBP 470 503.5425 -1.0000 502.5425 1.98593E-03
23 NBP 515 141.0080 -0.2800 140.7280 1.98570E-03
24 NBP 550 40.2019 -0.0800 40.1219 1.98995E-03
TOTAL 4898.3909 -55.1900 4843.2009

Unit 4, 'RX13', 'HDS REACTOR' (Continued)
LB-MOL/HR FRACTION
---------------- ---------- ---------- ------------
? NO-BASE-CMPNT 1 N/A N/A

----------- ---------- --------- ----------- -----------
1 H2 6220.7750 -122.9687 6097.8064 0.0198
2 C1 3615.3511 0.0000 3615.3511
3 C2 1884.8808 0.0000 1884.8808
4 H2S 1260.8368 158.8216 1419.6584
5 C3 246.4368 0.0000 246.4368
6 IC4 314.8492 0.0000 314.8492
7 NC4 110.1237 0.0000 110.1237
8 IC5 69.5386 0.0000 69.5386
9 NC5 241.2454 0.0000 241.2454
10 NBP 220 58.0928 11.1100 69.2028
11 NBP 260 438.6369 73.9200 512.5569
12 NBP 290 1389.9254 227.4800 1617.4054
13 NBP 310 1036.5869 176.5300 1213.1169
14 NBP 328 2061.5722 -4.0200 2057.5522 1.94997E-03
15 NBP 340 1336.7267 -2.7600 1333.9667 2.06475E-03
16 NBP 352 4857.8014 -10.0100 4847.7914 2.06060E-03
17 NBP 364 2807.4311 -5.9200 2801.5111 2.10869E-03
18 NBP 376 16912.9633 -33.6600 16879.3033 1.99019E-03
19 NBP 392 22838.4702 -46.4000 22792.0702 2.03166E-03
20 NBP 410 37315.4619 -75.1500 37240.3119 2.01391E-03
21 NBP 431 36366.8559 -72.1600 36294.6959 1.98422E-03
22 NBP 470 98190.7788 -195.0000 97995.7788 1.98593E-03
23 NBP 515 30457.7263 -60.4800 30397.2463 1.98570E-03
24 NBP 550 9447.4575 -18.8000 9428.6575 1.98995E-03
TOTAL 279480.5246 0.5329 279481.0575

Feed Preheater
Unit 5, 'EX', 'FEED PREHEAT'

LMTD, F 83.610
** WARNING ** The LMTD correction factor (FT) set to 0.0001.

MTD, F 8.361E-03
U*A, BTU/HR-F 5.967E+09

----------- -----------
FEED 9
MIXED PRODUCT 10
VAPOR, LB-MOL/HR 4288.475 3370.902
M LB/HR 184.641 32.524
CP, BTU/LB-F 0.721 1.086
LIQUID, LB-MOL/HR 554.726 1472.299
M LB/HR 94.840 246.957
CP, BTU/LB-F 0.718 0.645
TOTAL, LB-MOL/HR 4843.201 4843.201
M LB/HR 279.481 279.481

----------- -----------
FEED 6
MIXED PRODUCT 7
VAPOR, LB-MOL/HR 3322.587 3726.937
M LB/HR 16.850 84.597
CP, BTU/LB-F 1.583 0.807
LIQUID, LB-MOL/HR 1575.804 1171.454
M LB/HR 262.631 194.883
CP, BTU/LB-F 0.578 0.692
TOTAL, LB-MOL/HR 4898.391 4898.391
M LB/HR 279.481 279.481

Stream Component Output

STREAM ID DUM1 H2 1 2
NAME FEED HC TOTAL MAKEUP
PHASE VAPOR VAPOR LIQUID VAPOR

1 H2 0.0000 202.3082 0.0000 300.0000
2 C1 13.9820 0.0000 0.0000 32.8130
3 C2 3.1057 0.0000 0.0000 19.9160
4 H2S 1.6646 0.0000 0.0000 14.0710
5 C3 0.1772 0.0000 0.0000 3.1480
6 IC4 0.1179 0.0000 0.0000 3.7930
7 NC4 0.0269 0.0000 0.0000 1.5250
8 IC5 6.6728E-03 0.0000 0.0000 0.8720
9 NC5 0.0169 0.0000 0.0000 3.1110
10 NBP 220 0.0000 0.0000 0.5700 0.0000
11 NBP 260 0.0000 0.0000 3.9002 0.0000
12 NBP 290 0.0000 0.0000 11.4605 0.0000
13 NBP 310 0.0000 0.0000 8.1493 0.0000
14 NBP 328 0.0000 0.0000 15.3706 0.0000
15 NBP 340 0.0000 0.0000 9.6794 0.0000
16 NBP 352 0.0000 0.0000 33.9514 0.0000
17 NBP 364 0.0000 0.0000 18.9608 0.0000
18 NBP 376 0.0000 0.0000 110.5047 0.0000
19 NBP 392 0.0000 0.0000 142.7060 0.0000
20 NBP 410 0.0000 0.0000 223.4094 0.0000
21 NBP 431 0.0000 0.0000 206.6087 0.0000
22 NBP 470 0.0000 0.0000 503.5212 0.0000
23 NBP 515 0.0000 0.0000 141.0059 0.0000
24 NBP 550 0.0000 0.0000 40.2017 0.0000
TOTAL RATE,
LB-MOL/HR 19.0980 202.3082 1470.0000 379.2490
TEMPERATURE, F 100.0000 100.0000 380.0000 115.0000

PRESSURE, PSIA 100.0000 100.0000 715.0000 715.0000
ENTHALPY,
MM BTU/HR 0.0585 0.0615 46.2927 0.5400
MOLECULAR WT 20.5449 2.0159 180.5964 7.7651
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 0.0000


STREAM ID 2R 5 6 7
NAME RECYCLE GAS COMB FEED

1 H2 300.0000 2785.8854 3085.8854 3085.8854
2 C1 32.8130 192.5439 225.3572 225.3572
3 C2 19.9160 42.7678 62.6839 62.6839
4 H2S 14.0710 22.9233 36.9943 36.9943
5 C3 3.1480 2.4406 5.5886 5.5886
6 IC4 3.7930 1.6239 5.4169 5.4169
7 NC4 1.5250 0.3697 1.8947 1.8947
8 IC5 0.8720 0.0918 0.9638 0.9638
9 NC5 3.1110 0.2327 3.3437 3.3437
10 NBP 220 0.0000 5.1524E-03 0.5752 0.5752
11 NBP 260 0.0000 0.0162 3.9164 3.9164
12 NBP 290 0.0000 0.0265 11.4870 11.4870
13 NBP 310 0.0000 0.0128 8.1621 8.1621
14 NBP 328 0.0000 0.0142 15.3849 15.3849
15 NBP 340 0.0000 7.0172E-03 9.6864 9.6864
16 NBP 352 0.0000 0.0192 33.9706 33.9706
17 NBP 364 0.0000 8.3297E-03 18.9691 18.9691
18 NBP 376 0.0000 0.0376 110.5422 110.5422
19 NBP 392 0.0000 0.0344 142.7404 142.7404
20 NBP 410 0.0000 0.0365 223.4459 223.4459
21 NBP 431 0.0000 0.0212 206.6299 206.6299
22 NBP 470 0.0000 0.0212 503.5425 503.5425
23 NBP 515 0.0000 2.0450E-03 141.0080 141.0080
24 NBP 550 0.0000 2.5135E-04 40.2019 40.2019
TOTAL RATE,
LB-MOL/HR 379.2490 3049.1416 4898.3909 4898.3909
TEMPERATURE, F 115.0000 169.9748 341.0656 565.0000

PRESSURE, PSIA 715.0000 715.0000 715.0000 710.0000
ENTHALPY,
MM BTU/HR 0.5400 3.1552 49.9880 99.8810
MOLE FRAC VAPOR 1.0000 1.0000 0.6783 0.7608
MOLE FRAC LIQUID 0.0000 0.0000 0.3217 0.2392


STREAM ID 8 8R 9 9R
NAME RX INLET RX PRODUCT
PHASE MIXED MIXED MIXED MIXED

1 H2 3085.8854 3085.8854 3024.8854 3024.8854
2 C1 225.3572 225.3572 225.3572 225.3572
3 C2 62.6839 62.6839 62.6839 62.6839
4 H2S 36.9943 36.9943 41.6543 41.6543
5 C3 5.5886 5.5886 5.5886 5.5886
6 IC4 5.4169 5.4169 5.4169 5.4169
7 NC4 1.8947 1.8947 1.8947 1.8947
8 IC5 0.9638 0.9638 0.9638 0.9638
9 NC5 3.3437 3.3437 3.3437 3.3437
10 NBP 220 0.5752 0.5752 0.6852 0.6852
11 NBP 260 3.9164 3.9164 4.5764 4.5764
12 NBP 290 11.4870 11.4870 13.3670 13.3670
13 NBP 310 8.1621 8.1621 9.5521 9.5521
14 NBP 328 15.3849 15.3849 15.3549 15.3549
15 NBP 340 9.6864 9.6864 9.6664 9.6664
16 NBP 352 33.9706 33.9706 33.9006 33.9006
17 NBP 364 18.9691 18.9691 18.9291 18.9291
18 NBP 376 110.5422 110.5422 110.3222 110.3222
19 NBP 392 142.7404 142.7404 142.4504 142.4504
20 NBP 410 223.4459 223.4459 222.9959 222.9959
21 NBP 431 206.6299 206.6299 206.2199 206.2199
22 NBP 470 503.5425 503.5425 502.5425 502.5425
23 NBP 515 141.0080 141.0080 140.7280 140.7280
24 NBP 550 40.2019 40.2019 40.1219 40.1219
TOTAL RATE,
LB-MOL/HR 4898.3909 4898.3909 4843.2009 4843.2009
TEMPERATURE, F 635.0000 635.0000 631.0617 631.0617

PRESSURE, PSIA 725.0000 725.0000 625.0000 625.0000
ENTHALPY,
MM BTU/HR 120.6183 120.6183 120.7193 120.7193
MOLECULAR WT 57.0556 57.0556 57.7059 57.7059
MOLE FRAC VAPOR 0.8665 0.8665 0.8855 0.8855
MOLE FRAC LIQUID 0.1335 0.1335 0.1145 0.1145


STREAM ID 10 11 12 13
NAME SEP NET LIQ SEPARAT GAS EXCESS-VENT

1 H2 3024.8854 36.6918 2988.1936 202.3082
2 C1 225.3572 18.8310 206.5262 13.9823
3 C2 62.6839 16.8103 45.8736 3.1058
4 H2S 41.6543 17.0664 24.5879 1.6647
5 C3 5.5886 2.9708 2.6178 0.1772
6 IC4 5.4169 3.6751 1.7418 0.1179
7 NC4 1.8947 1.4981 0.3966 0.0269
8 IC5 0.9638 0.8653 0.0985 6.6670E-03
9 NC5 3.3437 3.0941 0.2496 0.0169
10 NBP 220 0.6852 0.6796 5.5266E-03 3.7416E-04
11 NBP 260 4.5764 4.5590 0.0174 1.1791E-03
12 NBP 290 13.3670 13.3386 0.0284 1.9247E-03
13 NBP 310 9.5521 9.5384 0.0137 9.2648E-04
14 NBP 328 15.3549 15.3396 0.0153 1.0326E-03
15 NBP 340 9.6664 9.6589 7.5267E-03 5.0958E-04
16 NBP 352 33.9006 33.8800 0.0206 1.3949E-03
17 NBP 364 18.9291 18.9202 8.9346E-03 6.0489E-04
18 NBP 376 110.3222 110.2819 0.0403 2.7294E-03
19 NBP 392 142.4504 142.4135 0.0369 2.4997E-03
20 NBP 410 222.9959 222.9568 0.0391 2.6476E-03
21 NBP 431 206.2199 206.1972 0.0227 1.5359E-03
22 NBP 470 502.5425 502.5197 0.0228 1.5409E-03
23 NBP 515 140.7280 140.7258 2.1935E-03 1.4850E-04
24 NBP 550 40.1219 40.1217 2.6960E-04 1.8253E-05
TOTAL RATE,
LB-MOL/HR 4843.2009 1572.6337 3270.5672 221.4256
TEMP, F 445.0869 100.0000 100.0000 100.0000

PRES, PSIA 620.0000 525.0000 525.0000 525.0000
ENTHALPY,
MM BTU/HR 70.8263 7.9818 1.7551 0.1188
MOLECULAR WT 57.7059 170.1726 3.6269 3.6269
MOLE FRAC VAP 0.6960 0.0000 1.0000 1.0000
MOLE FRAC LIQ 0.3040 1.0000 0.0000 0.0000


STREAM ID 14
NAME RECYCLE GAS
PHASE VAPOR
THERMO ID GS01

1 H2 2785.8854
2 C1 192.5439
3 C2 42.7678
4 H2S 22.9233
5 C3 2.4406
6 IC4 1.6239
7 NC4 0.3697
8 IC5 0.0918
9 NC5 0.2327
10 NBP 220 5.1524E-03
11 NBP 260 0.0162
12 NBP 290 0.0265
13 NBP 310 0.0128
14 NBP 328 0.0142
15 NBP 340 7.0172E-03
16 NBP 352 0.0192
17 NBP 364 8.3297E-03
18 NBP 376 0.0376
19 NBP 392 0.0344
20 NBP 410 0.0365
21 NBP 431 0.0212
22 NBP 470 0.0212
23 NBP 515 2.0450E-03
24 NBP 550 2.5135E-04

A4 - Turbo-Expander Gas Plant Optimization

The objective of this study is to optimize (maximize) the profit gen-
erated by an existing Turbo-Expander Gas Plant. The flowsheet for
this problem is shown in Figure A4-1.
Figure A4-1: Turbo-expander Gas Plant
A4 - Turbo-Expander Gas Plant Optimization Advanced 6-221

Process Data
The process recovers gas liquids from a natural gas feed stream
(stream FD00) while maintaining a gross heating value of 100 Btu/
SCF in the residue gas. The feed stream composition is given in
Table A4-1.
Table A4-1: Data for Feed Stream FD00
Component Mole Percent Component Mole Percent

Nitrogen 0.6200 Butane 0.4700
Methane 89.2300 i-Pentane 0.0900
Ethane 6.9600 Pentane 0.0700
Propane 2.2300 Hexane 0.0300
i-Butane 0.2900 Heptane 0.0100
Total Rate, lb-moles per hour 1646.9757
The cold expander and deethanizer pressures are fixed by the

expander discharge pressure (via calculator CAL2). Table A4-2 lists
some important process operating conditions.
Table A4-2: Process Information
Temperature, Pressure, Rate,
Stream F psia scf/hour
Feed stream FD00 120 510 625,000
Sales Gas RG08 120 150
NGL Liquids HGL3 104 150
Adiabatic Efficiency, percentage

Compressor CMP2 70.25%
Expander EXP1 95.00%
The separation performed by column COL1 removes propane from

the overhead and ethane from the bottom product. Table A4-3 lists
the specifications on the C2 content in the NGL (bottoms) product
and C3 in the sales gas (overhead product).
6-222 Advanced A4 - Turbo-Expander Gas Plant Optimization

Table A4-3: Column COL1 Gas Specifications
Component in Product lb-moles/hr
C2 (Ethane) Bottoms NGL1 0.11370
C3 (Propane) Overhead RG01 1.6200
The objective function of calculator CAL1 is the profit calculated

from the cost of the feed and plant utilities, together with the value
of the products. Table A4-4 lists the costing information used in cal-
culating the plant profit.
Table A4-4: Calculator CAL1 Costing Information
Constant Item Cost
C(1) Feed/residue gas $3.40 / MM Btu
C(2) Ethane liquids $0.180 / gal
C(3) Propane liquids &0.355 / gal
C(4) iC4 liquids $0.500 / gal
C(5) nC4 liquids $0.505 / gal
C(6) C5+ liquids $0.570 / gal
C(7) Gross furnace efficiency 65%
C(8) Electricity cost $0.027 / kW-hr
C(9) Pump cost factor $1.3414 / hour
C(10) not used 0.00
C(11) Heating value of N2 0.0000 Btu/SCF
C(12) Heating value of C1 1009.0 Btu/SCF
C(15) Heating value of iC4 3252.6 Btu/SCF
C(16) Heating value of nC4 3262.0 Btu/SCF
C(17) Heating value of iC5 3999.7 Btu/SCF
C(18) Heating value of nC5 4008.7 Btu/SCF

Methods and Data

Soave-Redlich-Kwong K-values and liquid and vapor phase enthal-
pies are used. The Lee-Kesler method is used to calculate liquid
densities.
Simulation Model
The flowsheet is modeled as shown in Figure A4.1. The heat
exchangers HX01, HX04 and HX05 are configured with area and
overall heat transfer coefficient values obtained from a base case
simulation model. This allows the model to accurately predict the
heat transfer performance of these heat exchangers as the optimizer
calculations are performed.
The heat exchanger HX03 serves as the deethanizer condenser on
one side and heats the cold flash product gas on the other. This
exchanger is specified with the ATTACH COLUMN statement in
place of the usual hot or cold side specifications. The hot side feed
and product information are therefore retrieved from the internal
column which connects automatically to the heat exchanger. The
pressure drop in the exchanger is also automatically set to the col-
umn condenser pressure drop.
The OPTIMIZER unit maximizes a CALCULATOR result based
on the overall plant profit using a set of product values for the sales
gas and NGL product streams, utility costs for the column reboiler,
compressors, coolers as well as the cost of the feed gas. The optimi-
zation variables used are the feed split between the two inlet heat
exchangers and the expander discharge pressure. DEFINE state-
ments set the cold separator and deethanizer column pressures equal
to the expander outlet pressure minus 5 psia via a second CALCU-
LATOR unit.
Solution Strategy
During an optimization, the process flowsheet is solved repeatedly
at different values of the optimization variables. Each optimization
cycle involves a base case flowsheet solution and one perturbation
solution for every optimization variable. Therefore, for our applica-
tion involving 2 optimization variables, each optimization cycle
involves 3 solutions. The perturbation solutions evolve from the
base case and are used to calculate finite difference approximations
to the derivatives of the optimizer specifications, constraints and
objective function. This has 2 important consequences:

Since this derivative information is used to generate each new
search direction it is important to limit the level of flowsheet
noise by using tight flowsheet tolerances.
An effective solution strategy for the base case simulation is neces-
sary because the solution time for flowsheet optimization is highly
dependent on the solution time for the base case.
Let us therefore begin by examining the process flowsheet in order
to determine the most effective solution strategy.
Elimination of Recycle Loops

The flowsheet shown in Figure A4.1 has one recycle loop com-
prised of units HX01, HX02, MX01, FL01, EXP1, CAL2, FL02,
COL1, PU01, HX03, and MX02. One approach is to provide initial
streams for the recycle streams HF03 and RG03 and then use stan-
dard PRO/II recycle convergence techniques to converge the mass
and energy balances.
On closer examination, we see that the recycle loop can be elimi-
nated altogether. We know that the composition of stream FD05 is
identical to that of the feed stream FD00. We define a new stream
FD05X that is the outlet of mixer MX01 and use the REFSTREAM
capability to set the conditions of stream FD05 to those of the feed.
The mass balance in the flowsheet is now satisfied immediately. We
initialize the temperature of FD05 and use a CONTROLLER unit to
vary the temperature until it matches that of FD05X, thus satisfying
the energy balance. The units inside this temperature loop can be
solved in the following order:
FL01, EXP1, CAL2, FL02, SP01, HX01, COL1, HX03, MX02,
HX02, MX01
Note that initial estimates for streams HF03 and RG03 are no longer
required. The advantages of using a REFSTREAM and a CON-
TROLLER to converge this flowsheet are reduced execution time
and automatic satisfaction of the mass balance.
Merging Units
To save calculation time and simplify the flowsheet, we merge the
expander EXP1 with the adiabatic flash that follows it.

Adding the Optimization
The CONTROLLER we propose to use requires a majority of the
flowsheet units to be solved. This implies that it will be more effi-
cient to include the controller specification and variable as part of
the optimizer instead of fully converging the controller at every
optimization step.
Optimizer OPT1 optimizes the profit in calculator CAL1 by permu-
tating the split ratio of splitter SP01 to control the feed flowing from
stream FD00 to the inlet heat exchangers HX01 and HX02. The
optimizer also permutates the discharge pressure of expander EXP1
and the temperature of stream FD05 to achieve maximum profit.
With these considerations, the OPTIMIZER now looks as follows:
Maximize PROFIT
such that
Temperature stream FD05 = Temperature stream FD05X
(or Temperature of FD05 - Temperature of FD05X =0)
by varying
Feed split
EXPANDER discharge PRESSURE, and
Temperature of stream FD05.
Note that the variables are perturbed in the order in which they
appear in the optimizer, and this order can have a significant impact
on the execution time. For this problem, splitter SP01 appears after
the expander EXP1 in the sequence statement of Figure A4-2.
Figure A4-2: Optimizing Variable Ordering
If the split fraction variable appears first, the optimizer resolves all
the units from the splitter to perturb the split fraction and then all
the units from the expander to perturb the discharge pressure.
If, on the other hand, the discharge pressure is placed before the
split fraction, then the optimizer must return to the expander during
both perturbations. The units between the expander and splitter

must be reset to their base case values to generate the derivatives
with respect to the split fraction, resulting in additional execution
time.
The ranges of the optimization variables are: 1 to 15% for the feed
split, 50 to 400 psia for the expander discharge pressure, and -50F
to -10 F for the temperature of stream FD05. To control the flow-
sheet behavior, the product of mixer MX01 that feeds flash FL01
has been split into two streams, FD05X and FD05, that effectively
are upstream and downstream segments of the same material flow.
The optimizer converges by matching the temperature of FD05X
(mixer product)to the permuted temperature of stream FD05 (flash
feed).
Modifying the Execution Sequence

Notice that the calculation of the profit requires data from the
pump, PU01, but requires no data from heat exchanger HX06, the
NGL cooler. Therefore, this heat exchanger can be moved outside
of the optimization loop. Similarly, data from the compressor
CMP2 is required, but the only data required from HX05, the after
cooler, is the stream composition, which can be determined prior to
the calculation of HX05. Therefore we can move the calculation of
HX05 outside the optimization loop, saving more time.
Input Data
English units are used for the simulation. The default liquid volume
units are changed from ft3 to barrels.
The keyword EQUILIBRIUM should be changed to BUBBLE for
PRO/II version 3.51 and earlier. (Note 1)
Input Data File

TITLE PROJECT=APPBRIEFS, PROBLEM=A4, USER=SIMSCI
DESC TURBO-EXPANDER GAS PLANT OPTIMIZATION
PRINT INPUT=NONE, STREAM=COMPONENT, MBALANCE
DIMEN ENGLISH
SEQU DEFINED=FL01, EXP1, CAL2, SP01, HX01, COL1, &
HX03, MX02, HX02, MX01, CMP1, HX04, &
CMP2, PU01, CAL1, OPT1, HX05, HX06
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE/3,ETHANE/4,PROPANE/5,IBUTANE/ &
6,BUTANE/7,IPENTANE/8,PENTANE/9,HEXANE/10,HEPTANE, &
THERMODYNAMIC DATA
METHOD KVAL(VLE)=SRK, ENTHALPY(L)=SRK, ENTHALPY(V)=SRK, &
DENSITY(L)=LK, DENSITY(V)=SRK, ENTROPY(L)=SRK, &
ENTROPY(V)=SRK, SET=SET01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD00, TEMP=120, PRESSURE=510, PHASE=M, &
RATE(GV)=625000, COMPOSITION(M)=1,0.62/ 2,89.23/ &
3,6.96/ 4,2.23/ 5,0.29/ 6,0.47/ 7,0.09/ &
8,0.07/ 9,0.03/10,0.01
PROPERTY STREAM=FD05, TEMPERATURE=-40, REFSTREAM=FD00
OUTPUT FORMAT=GAS, STREAM=FD00, RG08, NGL3
UNIT OPERATIONS
FLASH UID=FL01, NAME=HOT FLASH
FEED FD05
PROD V=HF01, L=HF02
ADIA PRESSURE=505
EXPANDER UID=EXP1, NAME=EXPANDER

FEED HF01
PROD V=CF02, L=CF05
OPER PRES=200, TESTIMATE=-119, EFF=95
CALCULATOR UID=CAL2, NAME=PRES CALC

DEFINE P(1) AS EXPANDER=EXP1, PRES(PSIA)
PROCEDURE
R(1) = P(1) - 5.0
RETURN
SPLITTER UID=SP01, NAME=FEED SPLIT

FEED FD00
PROD M=FD01, M=FD02
OPER OPTION=FILL
SPEC STREAM=FD02, RATE(LBM/H), DIVIDE, REFFEED, &
VALUE=0.06
HX UID=HX01, NAME=FEED-SEP HX
HOT FEED=FD02, M=FD04
COLD FEED=HF02, M=HF04
CONFIG COUNTER, U=50, AREA=53.326, TPASS=1, SPASS=1
COLUMN UID=COL1, NAME=DE-C2

PARA TRAY=16,IO=30 ERRINC=1.5
FEED CF05,6/HF04,12
PROD OVHD(M)=RG01,65, BTMS(M)=NGL1
COND TYPE=PART
DUTY 1,1,-0.249998/2,16,0.649993
PSPEC DPCOLUMN=5
PRINT PROPTABLE=BRIEF, ITERATION=NONE
ESTI MODEL=CONVENTIONAL
TEMPERATURE 1,-85/ 2,-70.0006/ 3,-59.9998/ 4,-50.0008/ &
5,-40/ 6,-25.0006/ 7, -5.0008/ 8, -2.0002/ &
9,1.9994/ 10,6.0008/ 11,15.0008/ 12,32/ &
13,55.0004/ 14,68/ 15,80.9996/ 16,39.9992
VAPOR(M) 1,65/ 2,85.9999/ 3,89/ 4,76/ 5,70/ &
6,70/ 7,54 / 8,53/ 9,58/ 10,59/ &
11,61/ 12,59/ 13,26/ 14,32/ 15,33/ 16,40
SPEC STREAM=NGL1, RATE(LBM/H), COMP=3, VALUE=0.1137, &
RTOLER=0.0001
SPEC STREAM=RG01, RATE(LBM/H), COMP=4, VALUE=1.62, &
RTOLER=0.0001
DEFINE PCOND(PSIA) AS CALCULATOR=CAL2, R(1)
DEFINE PTOP(PSIA) AS CALCULATOR=CAL2, R(1)
VARY DUTY=1,2
TOLERANCE KVALUE=1E-6, EQUILIBRIUM=1E-6, ENTHALPY=1E-5
HX UID=HX03, NAME=DE-C2 COND

COLD FEED=CF02, M=CF04
ATTACH COLUMN=COL1, TYPE=CONDENSER
CONFIG COUNTER, TPASS=1, SPASS=1
MIXER UID=MX02, NAME=RGAS MIXER

FEED RG01,CF04
PROD V=RG03
HX UID=HX02, NAME=FD-PROD HX
HOT FEED=FD01, M=FD03
COLD FEED=RG03, M=RG04
OPER CTEMP=110, TOL=1E-5
MIXER UID=MX01, NAME=FEED MIXER

FEED FD03,FD04
PROD M=FD05X
COMP UID=CMP1, NAME=RGAS COMPR1

FEED RG04
PROD V=RG05
OPER CALCULATION=GPSA, EFF=65.19, WTOL=1E-5
DEFINE WORK(HP) AS EXPANDER=EXP1, WORK(HP), TIMES,1
HX UID=HX04, NAME=INTER COOLER

HOT FEED=RG05, M=RG06
UTILITY AIR, TIN=84.999, TEMPERATURE=115
COMP UID=CMP2, NAME=RGAS COMPR2

FEED RG06
PROD M=RG07
OPER CALCULATION=GPSA, PRES=510, EFF=70.25
PUMP UID=PU01, NAME=NGL PUMP

FEED NGL1
PROD L=NGL2
OPER PRESSURE=275
CALCULATOR UID=CAL1, NAME=OBJECTIVE FC

SEQUENCE STREAM=FD00,RG03,NGL1,RG04
$ CONSTANTS:
$ C(1) = FEED/RESIDUE GAS COST, $/MMBTU
$ C(2) = C2 LIQUIDS COST, $/GAL
$ C(3) = C3 LIQUIDS COST, $/GAL
$ C(4) = IC4 LIQUIDS COST, $/GAL
$ C(5) = NC4 LIQUIDS COST, $/GAL
$ C(6) = C5+ LIQUIDS COST, $/GAL
$ C(7) = GROSS FURNACE EFFICIENCY, FRACTION
$ C(8) = ELECTRICITY COST, $/KW-HR
$ C(9) = HP-HR TO KW-HR CONVERSION
$ C(11) TO C(20) HEATING VALUE FOR COMPONENTS
$ 1 THROUGH 11, BTU/SCF
CONSTANT 1,3.4/ 2,0.18/ 3,0.355/ 4,0.5 / 5,0.505/ &

6,0.57/ 7,0.65/ 8,0.027/ 9,1.3414/ 10,0 &
/11,0/12,1009/13,1768.7/ 14,2517.2/ &
15,3252.6/ 16,3262 / 17,3999.7/ &
18,4008.7/ 19,4756.1/ 20,5502.8
DEFINE P(1) AS STREAM=FD00, RATE(LBM/H)
DEFINE P(2) AS STREAM=RG03, RATE(LBM/H)
DEFINE P(3) AS STREAM=NGL1, RATE(LV,BBL/H)
DEFINE P(4) AS COMPRESSOR=CMP2, WORK(HP)
DEFINE P(5) AS PUMP=PU01, WORK(HP)
DEFINE P(6) AS COLUMN=COL1, DUTY(2,BTU/H)
RESULT 1,FeedCost / 2,SaleGasValue/ 3,NGL_Value / &
4,CmprWorkCost/ 5,Pump_Cost/ 6,Reboil_Cost/ &
7,Sum_Cost/ 8,PROFIT
PROCEDURE
$ HEATING VALUE OF FEED STREAM, BTU/SCF
V(1) = 0.0
DO 10 IX1 = 1 , 10
10 V(1) = V(1) + SCMF(IX1,FD00)*C(IX1+10)
$ COST OF FEED, $/DAY
R(1) = V(1)*P(1)*379.491*24.0*C(1)/1.0E6
$ HEATING VALUE OF SALES GAS, BTU/SCF
V(2) = 0.0
DO 20 IX1 = 1 , 10
20 V(2) = V(2) + SCMF(IX1,RG04)*C(IX1+10)
$ SALES GAS VALUE, $/DAY
R(2) = V(2) * P(2)*379.491 * 24.0*C(1) / 1.0E6
$ VOLUME FRACTION OF C5+ IN NGL LIQUIDS
V(3) = SCVF(7,NGL1) + SCVF(8,NGL1) + SCVF(9,NGL1)
V(3) = V(3) + SCVF(10,NGL1)
$ VALUE OF NGL, $/GAL
V(4) = SCVF(3,NGL1)*C(2)
V(4) = V(4) +SCVF(4,NGL1)*C(3) +SCVF(5,NGL1)*C(4)
V(4) = V(4) + SCVF(6,NGL1)*C(5) + V(3)*C(6)
$ VALUE OF NGL, $/DAY
R(3) = P(3)*42.0*24.0*V(4)
$ COMPRESSOR WORK ALLOWING FOR 40% EFFICIENCY, BTU/HR
R(4) = P(4) * 2546.1 / 0.4
$ COMPRESSOR WORK $/DAY
R(4) = R(4) * 24.0 * C(1) / 1.0E+06
$ PUMPING COSTS, $/DAY
R(5) = P(5) * 24.0 * C(9) * C(8)
$ REBOILER DUTY
R(6) = P(6) * 24.0 * C(7) * C(1)
$ COMPRESSOR + PUMP + REBOILER
R(7) = R(4) + R(5) + R(6)
$ PROFIT, $/DAY
R(8) = R(2) + R(3) - R(1) - R(7)
RETURN
OPTIMIZER UID=OPT1, NAME=OPTIMIZER

SPEC STREAM=FD05X, TEMPERATURE(F), MINUS, STREAM=FD05, &
TEMPERATURE(F), VALUE=0, ATOLER=0.001
VARY SPLITTER=SP01, SPEC(1), MINI=0.01, MAXI=0.15, &
STEPSIZE=0.05, APERTURB=0.01
VARY EXPANDER=EXP1, PRES, MINI=50, MAXI=400, APERTURB=1
VARY STREAM=FD05, TEMPERATURE, MINI=-50, MAXI=-10, &
STEPSIZE=3, APERTURB=0.5
OBJECTIVE CALCULATOR=CAL1, R(8), RTOL=0.0001, MAXIMIZE
OPTPARAMETER OPRINT=ALL
HX UID=HX05, NAME=AFTER COOLER

HOT FEED=RG07, M=RG08
HX UID=HX06, NAME=NGL COOLER

HOT FEED=NGL2, M=NGL3
OPER DUTY=0.04, TOL=1E-5
END
Results
The maximum daily profit for the plant is found to be $688.12. This
is the value of the objective function of optimizer OPT1 (specified
as RESULT 8, PROFIT, from calculator CAL1) obtained in the 6th
of 7 optimization cycles.
The optimum outlet pressure of expander EXP1 (optimizer variable
2) is about 231 psia and the feed split (splitter SP01, optimizer vari-
able 1) is at its upper bound, with 15% being sent as the hot-feed to
heat exchanger HX02. At these conditions, the temperature of
stream FD05 satisfies the flowsheet heat balance with a value of -
40.9 F.
The optimizer report shows that the shadow prices for variable 1
and the specification are non-zero. Shadow prices reflect the sensi-
tivity of the objective function to changes in specification values or
to changes in variable bounds or constraints that are binding at the
solution of the optimization. They are interpreted as follows:
For a positive shadow price, increasing its right hand side
(MINI, MAXI or VALUE) will increase the value of the objec-
tive function.
For a negative shadow, increasing its right hand side (MINI,
MAXI or VALUE) will decrease the value of the objective
function.
Here, the optimal solution has variable 1 at its upper bound with a
positive shadow price. Allowing the feed split to increase beyond
15% would further increase the profit. Not surprisingly, the shadow
price for the specification is also nonzero, indicating that the profit
would increase if we did not have to satisfy the energy balance!
Output
The following data were extracted from the PRO/II output:
Flowsheet Mass Balance
Optimizer Search History
Calculator CAL1 Summary
Exchanger HX01 Summary
Expander EXP1 Summary
Compressor CMP1 Summary
Column COL1 Summary
Gas Format Stream Compositions
Flowsheet Mass Balance
FEED STREAMS: FD00 FD05
PRODUCT STREAMS: FD05X RG08 NGL3
OVERALL PLANT MOLAR BALANCE

---------------- LB-MOL/HR ---------------- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
--------------------- ---------- ---------- ---------- ---------- -------
1 NITROGEN 20.422 0.000 20.422 0.000 0.00
2 METHANE 2939.193 0.000 2939.193 0.000 0.00
3 ETHANE 229.259 0.000 229.259 0.000 0.00
4 PROPANE 73.455 0.000 73.455 0.000 0.00
5 IBUTANE 9.552 0.000 9.552 0.000 0.00
6 BUTANE 15.482 0.000 15.482 0.000 0.00
7 IPENTANE 2.965 0.000 2.965 0.000 0.00
8 PENTANE 2.306 0.000 2.306 0.000 0.00
9 HEXANE 0.988 0.000 0.988 0.000 0.00
10 HEPTANE 0.329 0.000 0.329 0.000 0.00
TOTAL 3293.951 0.000 3293.951 0.000 0.00
OVERALL PLANT MASS BALANCE

------------------ LB/HR ------------------ PERCENT
--------------------- ---------- ---------- ---------- ---------- -------
1 NITROGEN 572.11 0.00 572.11 0.00 0.00
2 METHANE 47152.77 0.00 47152.77 0.00 0.00
3 ETHANE 6893.74 0.00 6893.74 0.00 0.00
4 PROPANE 3239.11 0.00 3239.11 0.00 0.00
5 IBUTANE 555.22 0.00 555.22 0.00 0.00
6 BUTANE 899.84 0.00 899.84 0.00 0.00
7 IPENTANE 213.89 0.00 213.89 0.00 0.00
8 PENTANE 166.36 0.00 166.36 0.00 0.00
9 HEXANE 85.16 0.00 85.16 0.00 0.00
10 HEPTANE 33.01 0.00 33.01 0.00 0.00
TOTAL 59811.21 0.00 59811.21 0.00 0.00

Optimizer Summary
UNIT 16, 'OPT1', 'OPTIMIZER'
BEST OBJECTIVE FUNCTION = 6.88121E+02 AT CYCLE NUMBER 6
*** MAXIMUM VALUE OF VARIABLE 1 IS LIMITING
*** FRACTIONAL RELATIVE CHANGE IN OBJECTIVE IS LESS THAN 1.0000E-04 ***
VARY --------- VARIABLE ----------

INDEX INITIAL VALUE OPTIMUM VALUE
----- ------------- -------------
1 6.00000E-02 1.50000E-01
2 2.00000E+02 2.31155E+02
3 -4.00000E+01 -4.09376E+01
--------------- SPECIFICATION ---------------
SPEC SPECIFIED CALCULATED RELATIVE
INDEX VALUE VALUE ERROR
----- ------------- ------------- -------------
1 0.00000E+00 -3.76345E-04 0.00000E+00
OPTIMIZER HISTORY
---- DERIVATIVES ----
CYCLE 1 2 3 4 5
---------- ----------- ----------- ----------- ----------- -----------
SPEC 1
/VARY 1 -1.7503E+01 -1.2031E+01 -8.3485E+00 -3.7196E+00 -3.5957E+00
/VARY 2 1.8426E-01 1.6216E-01 1.7430E-01 1.7994E-01 1.7745E-01
/VARY 3 -9.8609E-01 -1.0019E+00 -1.1075E+00 -1.1251E+00 -1.1275E+00
OBJECTIVE
/VARY 1 2.5139E+01 1.6947E+01 1.1652E+01 5.2380E+00 4.9802E+00
/VARY 2 1.1446E+00 6.7877E-01 6.6231E-01 6.8646E-01 6.4055E-01
/VARY 3 -3.1082E+00 -4.3605E+00 -4.0477E+00 -3.8730E+00 -4.0112E+00
---- SHADOW PRICES ----
CYCLE 1 2 3 4 5
---------- ----------- ----------- ----------- ----------- -----------
VARY 1 0.0000E+00 0.0000E+00 0.0000E+00 1.1871E+01 1.8141E+01
VARY 2 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00
VARY 3 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00
SPEC 1 5.8374E+00 4.1994E+00 3.3150E+00 3.6017E+00 3.5781E+00
---- VALUES ----
CYCLE 1 2 3 4 5
---------- ----------- ----------- ----------- ----------- -----------
VARY 1 6.0000E-02 6.5849E-02 8.9127E-02 1.3913E-01 1.5000E-01
VARY 2 2.0000E+02 2.1981E+02 2.2715E+02 2.2837E+02 2.3086E+02
VARY 3 -4.0000E+01 -3.7000E+01 -4.0000E+01 -4.1238E+01 -4.0981E+01
SPEC 1 -5.8994E+00 -5.5781E+00 -1.4209E+00 -1.1796E-01 -3.8967E-03
REL ERR -5.90E+00 -5.58E+00 -1.42E+00 -1.18E-01 -3.90E-03
SUM SQ ERR 3.4803E+01 3.1116E+01 2.0191E+00 1.3915E-02 1.5185E-05
OBJECTIVE 6.5620E+02 6.6346E+02 6.8128E+02 6.8738E+02 6.8810E+02

UNIT 16, 'OPT1', 'OPTIMIZER' (Cont)

---- DERIVATIVES ---- ---- SHADOW PRICES ---- ---- VALUES ----
CYCLE BEST - 6 CYCLE BEST - 6 CYCLE BEST - 6
---------- ----------- ---------- ----------- ---------- -----------
SPEC 1 VARY 1 N/A VARY 1 1.5000E-01
/VARY 1 N/A VARY 2 N/A VARY 2 2.3115E+02
/VARY 2 N/A VARY 3 N/A VARY 3 -4.0938E+01
/VARY 3 N/A
OBJECTIVE SPEC 1 N/A SPEC 1 -3.7634E-04
/VARY 1 N/A REL ERR 0.00E+00
/VARY 2 N/A SUM SQ ERR 0.0000E+00
/VARY 3 N/A OBJECTIVE 6.8812E+02
Calculator Summary
UNIT 3, 'CAL2', 'PRES CALC'
------- ------------ ------------ ------- ------- ----------
1 COL1_TopPres 2.26155E+02 2- 200 Undefined

--------- ------------ --------- ------------
1 2.31155E+02 2- 50 Undefined
UNIT 15, 'CAL1', 'OBJECTIVE FC'

------ ------------ ------------ -------- ----------- -----------
1 FeedCost 5.67495E+04 6 Reboil_Cost 3.27877E+01
2 SaleGasValue 5.31941E+04 7 Sum_Cost 3.33884E+02
3 NGL_Value 4.57741E+03 8 PROFIT 6.88121E+02
4 CmprWorkCost 3.00906E+02 9- 200 Undefined
5 Pump_Cost 1.90746E-01

--------- ------------ --------- ------------
1 1.64698E+03 5 2.19444E-01
2 1.60705E+03 6 6.18169E-01
3 1.06919E+01 7- 50 Undefined
4 5.79329E+02


UNIT 5, 'HX01', 'FEED-SEP HX'

LMTD, F 58.666
F FACTOR (FT) 1.000
MTD, F 58.666
U*A, BTU/HR-F 2666.302
U, BTU/HR-FT2-F 50.000
AREA, FT2 53.326

----------- -----------
FEED FD02
VAPOR PRODUCT FD04
VAPOR, LB-MOL/HR 247.046 247.046
M LB/HR 4.486 4.486
CP, BTU/LB-F 0.573 0.571
TOTAL, LB-MOL/HR 247.046 247.046
M LB/HR 4.486 4.486

----------- -----------
FEED HF02
MIXED PRODUCT HF04
M LB/HR 0.408
CP, BTU/LB-F 0.567
M LB/HR 1.377 0.970
CP, BTU/LB-F 0.598 0.680
M LB/HR 1.377 1.377

UNIT 9, 'HX02', 'FD-PROD HX'

LMTD, F 17.179
F FACTOR (FT) 1.000
MTD, F 17.179
U*A, BTU/HR-F 164927.436

----------- -----------
FEED FD01
MIXED PRODUCT FD03
VAPOR, LB-MOL/HR 1399.929 1347.085
M LB/HR 25.420 23.600
CP, BTU/LB-F 0.573 0.664
M LB/HR 1.820
CP, BTU/LB-F 0.618
TOTAL, LB-MOL/HR 1399.929 1399.929
M LB/HR 25.420 25.420

----------- -----------
FEED RG03
VAPOR PRODUCT RG04
VAPOR, LB-MOL/HR 1607.050 1607.050
M LB/HR 27.875 27.875
CP, BTU/LB-F 0.543 0.545
TOTAL, LB-MOL/HR 1607.050 1607.050
M LB/HR 27.875 27.875

UNIT 7, 'HX03', 'DE-C2 COND'
Heat Exchanger is attached to Column COL1, as a Condenser

LMTD, F 79.331
F FACTOR (FT) 1.000
MTD, F 79.331
U*A, BTU/HR-F 3416.656

----------- -----------
STREAM IS FROM COLUMN COL1 , UNIT 6
M LB/HR 2.669 1.274
CP, BTU/LB-F 0.473 0.486
M LB/HR 1.396
CP, BTU/LB-F 0.686
M LB/HR 2.669 2.669

----------- -----------
FEED CF02
VAPOR PRODUCT CF04
VAPOR, LB-MOL/HR 1552.661 1552.661
M LB/HR 26.601 26.601
CP, BTU/LB-F 0.560 0.548
TOTAL, LB-MOL/HR 1552.661 1552.661
M LB/HR 26.601 26.601
TEMPERATURE, F -100.469 -82.068

Expander EXP1 Summary

UNIT 2, 'EXP1', 'EXPANDER'
Feeds HF01
Products Vapor CF02

Liquid CF05
--------- ---------- ---------
TEMPERATURE, F -41.37 -101.92 -100.47
PRESSURE, PSIA 505.00 231.15 231.15
WORK, HP
THEORETICAL 313.27
ACTUAL 297.61

Compressor CMP1 Summary

UNIT 11, 'CMP1', 'RGAS COMPR1'
Feeds RG04
Products Vapor RG05
----------- ---------- ---------
TEMPERATURE, F 110.00 145.52 162.25
PRESSURE, PSIA 226.15 296.28 296.28
CP, BTU/LB-MOL-F 9.4565 9.8474
CV, BTU/LB-MOL-F 7.1533 7.5284
CP/(CP-R) 1.2658 1.2526
CP/CV 1.3220 1.3080
HEAD, FT
ADIABATIC 13776.40
POLYTROPIC 14013.90
ACTUAL 21132.69
WORK, HP
THEORETICAL 194.01
POLYTROPIC 197.36
ACTUAL 297.61


UNIT 6, 'COL1', 'DE-C2' Column Summary

TOTAL NUMBER OF ITERATIONS IN/OUT METHOD 136
COLUMN SUMMARY
------ ------- -------- -------- -------- --------- --------- ------------
1C -29.8 226.15 43.9 54.4V -0.2710
2 6.6 226.15 41.7 98.3
3 23.7 226.51 40.0 96.1
4 33.5 226.87 39.1 94.4
5 38.9 227.23 38.3 93.5
6 43.6 227.58 105.2 92.7 57.4M
7 74.5 227.94 111.9 102.2
8 86.8 228.30 114.3 108.8
9 92.8 228.65 115.3 111.2
10 96.2 229.01 115.5 112.2
11 99.1 229.37 114.1 112.4
12 104.5 229.73 133.3 111.1 36.9M
13 120.3 230.08 140.5 93.4
14 126.4 230.44 141.1 100.6
15 132.9 230.80 138.0 101.2
16R 146.1 231.15 98.1 39.9L 0.6182
FEED AND PRODUCT STREAMS FROM TO LIQUID FLOW RATES HEAT RATES
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED CF05 MIXED 6 0.9961 57.44 -0.1712
FEED HF04 MIXED 12 0.4371 36.87 0.0881
PROD RG01 VAPOR 1 54.39 0.1148
PROD NGL1 LIQUID 16 39.93 0.1492


------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM NGL1 16 3 MOL RATE 1.137E-01 1.137E-01
2 (ACTIVE) STRM RG01 1 4 MOL RATE 1.620E+00 1.620E+00
------ REFLUX RATIOS ------ MOLAR WEIGHT STD L VOL

--------- --------- ---------
REFLUX / FEED STREAM CF05 0.7643 0.7243 0.7996
REFLUX / FEED STREAM HF04 1.1907 1.0133 1.2142

Gas Processor Properties Set

STREAM ID FD00 RG08 NGL3
NAME
PHASE VAPOR VAPOR LIQUID
TEMPERATURE, F 120.00 116.21 119.21

PRESSURE, PSIA 510.000 510.000 275.000
RATE, LB-MOL/HR 1646.9757 1607.0498 39.9259
RATE, LB/HR 29905.6038 27874.5494 2031.0544
ENTHALPY, BTU/LB 124.7498 118.6267 54.0434
TOTAL GHV, BTU/STD FT3 1113.3373 1069.5528 2875.6976
TOTAL LHV, BTU/STD FT3 1006.0397 965.1936 2650.1288
WOBBE INDEX, BTU/STD FT3 1406.1230 1382.1089 2169.8958
----- VAPOR PHASE ------
RATE, LB-MOL/HR 1646.9757 1607.0498 N/A

RATE, LB/HR 29905.6038 27874.5494 N/A
ACT RATE, FT3/MIN 315.9506 307.8362 N/A
STD VAP RATE(1), M FT3/HR 625.0000 609.8488 N/A
RATE C2+, GAL/M STD FT3 2.7921 2.1252 N/A
RATE C3+, GAL/M STD FT3 0.9308 0.2195 N/A
ENTHALPY, BTU/LB 124.7498 118.6267 N/A
CP, BTU/LB-F 0.5728 0.5769 N/A
CV, BTU/LB-F 0.4187 0.4189 N/A
CP/CV RATIO 1.3679 1.3773 N/A
ENTROPY, BTU/LB-F 2.5725 2.6102 N/A
IDEAL GHV, BTU/STD FT3 1113.3373 1069.5528 N/A
IDEAL LHV, BTU/STD FT3 1006.0397 965.1936 N/A
WOBBE INDEX, BTU/STD FT3 1406.1230 1382.1089 N/A
MOLECULAR WEIGHT 18.1579 17.3452 N/A
ACT DENSITY, LB/FT3 1.5775 1.5092 N/A
COMPRESSIBILITY (Z) 0.9436 0.9485 N/A
VISCOSITY, CP 0.0116 0.0117 N/A
COND, BTU/HR-FT-F 0.0206 0.0208 N/A
PSEUDO CRIT. TEMP, F -91.6576 -100.0889 N/A
PSEUDO CRIT. PRES, PSIA 666.2441 668.3162 N/A
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE

(60 F AND 14.696 PSIA)

Gas Processor Properties Set (Cont.)

STREAM ID FD00 RG08 NGL3
NAME
PHASE VAPOR VAPOR LIQUID
----- LIQUID PHASE -----
RATE, LB-MOL/HR N/A N/A 39.9259

RATE, LB/HR N/A N/A 2031.0544
ACT RATE, GAL/MIN N/A N/A 8.1490
STD LV RATE, GAL/MIN N/A N/A 7.4843
ENTHALPY, MM BTU/HR N/A N/A 0.1098
ENTHALPY, BTU/LB N/A N/A 54.0434
CP, BTU/LB-F N/A N/A 0.6849
MOLECULAR WEIGHT N/A N/A 50.8706
ACT DENSITY, LB/FT3 N/A N/A 31.0739
STD SP.GR. N/A N/A 0.5425
VISCOSITY, CP N/A N/A 0.0963
COND, BTU/HR-FT-F N/A N/A 0.0508


A5 - H2SO4 Alkylation
For years a sulfuric acid alkylation plant has operated with little
consideration for revamp or modernization. This demonstration
takes a fresh look at how this plant will be best utilized in the era of
reformulated, low RVP, low aromatics gasoline.
One possiblity for revamp is to change the conventional deisobuta-
nizer into an iso-stripper operation. This tends to increase the recy-
cle rate which, in turn, results in a higher isobutane content in the
reactor. The bottom line is higher alkylate quality and lower acid
consumption at the cost of a larger settler and increased mixing
costs. You have been asked to establish the process conditions for
this new operation.
Process Data
The flowsheet is illustrated in Figure A5-1. For the purpose of
establishing the process conditions, the various caustic wash units
(for removal of H2SO4) are not considered. Also, for simulation
purposes, the acid is considered to be pure H2SO4. Typically, 96 wt
% acid is used in the actual plant. The feed streams are given in
Table A5-1.
H2SO4 Alkylation
The saturated feed is depropanized. A supplemental isobutane feed
is added to the bottoms and chilled in the economizer. The chilled
liquid enters the first reactor chamber, along with isobutane recycle
and acid. Twenty-five percent of the olefin is injected adjacent to
the impeller blades in each reaction chamber. In the presence of
excess isobutane, all of the olefin reacts to form primarily isooctane
alkylate.
This particular alkylation reactor has an autorefrigeration feature.
Alkylation is an exothermic reaction. However, as the hydrocarbon
is cascaded from one reaction chamber to the next, sufficient vapor-
ization takes place to keep the mixture at temperatures low enough
(40-50 F) to prevent acid runaway (increase in acid consumption).
The vapors are collected and recycled through a refrigeration cir-
cuit. The reactor effluent is stripped of isobutane (which is recy-
cled), and debutanized to an RVP of 12.0.
A5 - H2SO4 Alkylation Advanced 6-245

Figure A5-1: H2SO4 Alkylation Plant
6-246 Advanced A5 - H2SO4 Alkylation

Table A5-1: Feed Stream Conditions
Rates, Saturated Olefin Makeup
bbl/hr Feed 1 Feed 2 Isobutane 3
methane 2.0 -- --
ethane 10.0 -- --
propane 100.0 9.0 --
isobutane 187.5 95.0 36.0
n-butane 100.0 50.0 9.0
propene -- 9.0 --
isobutene -- 14.0 --
2-butene -- 175.0 --
1-butene -- 56.0 --
isopentane -- 5.0 --
Total rate, bbl/hr 399.5 413.0 45.0
Temperature, F 100.0 100.0 100.0
Pressure, psia 400.0 215.0 400.0
Methods and Data

Soave-Redlich-Kwong (SRK) is used to model the hydrocarbon
streams. There are three approaches to modeling the acid stream:
1.The most rigorous method of modeling the acid stream is to
provide alpha parameters for the H2SO4 that predict the heat
capacity, and SRK interaction parameters that predict H2SO4-
hydrocarbon mutual solubility. Since for all practical purposes
the H2SO4 and hydrocarbon are totally immiscible, setting Kij
equal to 0.5 for all acid- hydrocarbon binaries will yield accept-
able results. Moreover, since the PRO/II REACTOR module
does not support rigorous VLLE, the products from each reac-
tion chamber should be adiabatically flashed to calculate the
exit conditions. This method is the most CPU intensive and is
not used here.
2. A similar, but less CPU intensive method is to replace the rig-
orous three phase flash with a STCALC (STream CALCulator)
module. The special alpha formulation is still used to predict
the correct H2SO4 heat capacity, but the Kij's are not required.

This produces virtually identical results as option 1. This
method is used here.
3. A third option would be to label the acid as a solid compo-
nent, i.e., a component with heat capacity but no effect on
vapor pressure. This is the least CPU intensive method of the
three, but will result in output reports that label sulfuric acid as
a solid.
Simulation Model
We assume for this simulation that cooling water exists to cool pro-
cess streams to as low as 100 F. Estimates for recycle streams are
provided to improve CPU time. The flowsheet is split into a control
and two recycle loops. The control loop is innermost and fixes the
separator outlet temperature at 45 F. The inner recycle loop solves
the reactor effluent/product separation circuit. The outer loop
includes the recycle back to the depropanizer. Note that the reactor
is solved on every pass through each loop, which is why the CPU
time is impacted if rigorous three phase flashes are performed for
the reactor simulation.
The compressor requirements are solved outside the loop. A simple
flash drum simulates the exit conditions of the aftercooler for the
purposes of solving the recycle. The two compressor stages and the
aftercooler are modeled separately after all loops are solved.
The yields for reacting isobutane with each of the existing olefins
are taken from Cupit, et al1. As olefin is injected into each reaction
chamber, we assume that the reaction proceeds instantaneously to
100% consumption of olefin. In practice, this is a good assumption
provided adequate mixing occurs. The consumption of acid and
production of acid-soluble reaction by- products is ignored in this
simulation. PRO/II automatically predicts the heats of reaction from
pure component heat of formation data.
Input Data
English units are used, with barrels for liquid volume units and spe-
cific gravity for standard density. Liquid volume rate printout is
requested. The special alpha formulation that predicts the acid heat
capacity is provided on the SA06 statement in the Thermodynamic
1. 1 Cupit, C. R., J. E. Gwyn, and E. C. Jernigan, Special Report Cata-

lytic Alkylation, Petroleum and Chemical Engineering vol. 33, no. 47,
1961 and vol. 34, no. 44, 1962.
Data Category. User-defined output reports are requested in the
Stream Data Category for reporting the flowsheet feeds and prod-
ucts on a volume basis.
Input Data File

TITLE PROJ=AppBrief, PROB= AppA5, USER=SIMSCI
$ 12,000 BPSD H2SO4 ALKYLATION PLANT.
PRINT RATE=M,LV, STREAM=PART, INPUT=ALL
CALC TRIALS=50, RECYCLE=TEAR
DIME LIQV=BBL, XDENS=SPGR
SEQU FX, HT3, P1, FB2, DEC3, FB2X, &
PC1, S1, V1, H2, C1, OLSP, &
RX1A, F1X, RX1B, F1Y, RX1C, F1Z, &
RX1D, F1ZZ, SETL, VAPR, C2, MCOM, &
P2, FB4X, DIC4, CON1, FT1, DEC4, &
FB4, CL4, P3, DEC2, FB1, CL1, &
SCTN, CMP1, CMP2, AFTR
COMP DATA
LIBID &
1,C1 /2,C2 /3,C3 /4,IC4 /5,NC4 / &
6,PROPENE/ 7,ISOBUTENE/8,T2BUTENE,,2BUTENE/ &
9,1BUTENE/10,IC5 /11,23DMB /12,24MP / &
13,23MP /14,224MPN /15,24HX /16,23HX / &
17,234MP /18,225MHX, BANK = SIMSCI, PROCESS
LIBID 24,H2SO4, BANK = SIMSCI, PROCESS
TC(K) 24,924
PC(BAR) 24,64
PETRO 19,C9s, 128.26, 0.73, 280 / &
20,C10s, 142.28, 0.74, 325 / &
21,C11s, 156.31, 0.75, 365 / &
22,C12s, 170.34, 0.76, 395 / &
23,C13s, 184.36, 0.77, 425
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK
ENTHALPY ALPHA=SIMSCI
SA06 24,1.81341,1.25196,0.566576
STREAM DATA
$ SATURATE FEED
COMP(LV)=1, 2/ 2,10 / 3,100/ &
4,187.5/ 5,100.
$ OLEFIN FEED

COMP(LV)=3, 9/ 4,95 / 5,50/ 6,9/ &
7,14/ 8,175/ 9,56/ 10,5
$ MAKE-UP
PROP STREAM=3, TEMP=100,PRES=400, &
RATE(LV)=45, COMP(LV)=4,80 / 5,20
$ MAKEUP N-BUTANE FOR CASE STUDY ANALYSIS
PROP STREAM=1NB, TEMP=100, PRES=400, &
COMP(LV)=5,1,RATE=0.00001
$ ACID FEED
PROP STREAM=SA1, TEMP=45, PRES=40, &
COMP(WT,LB/HR)=24,1000000
PROP STREAM=11B, TEMP=140, REFSTREAM=11A
$ RECYCLE STREAM DATA ESTIMATES

PROP STREAM=27, NAME=RCY_SAT, PHASE=L, &
PRES=73, COMP=3,80 / 4,500 / 5,60
PROP STREAM=26, NAME=SRG_DRUM, PHASE=L, &
PRES=73, COMP=3,560 / 4,3500 / 5,420
PROP STREAM=30R, NAME=RCY_IC4, TEMP=62, &
PRES=200, COMP=3,510 / 4, 6500 / 5,1600 / &
10,30 / 11,7 / 13,4 / 14,20 / 17,10 / 18, 1
NAME 1,SATURATED FEED/ 2,OLEFIN FEED/ &
3,MAKEUP IC4/ 10,DEC3 FEED/ &
11,PROPANE TO DEC2/12,DEC4 BOTTOMS/ &
20, OLEFIN TO RXN /21,IC4 TO RXN / &
24, RXN VAPORS /25, RXN LIQUIDS/ &
26, COMP SURGE DRUM LIQ/27, RCY TO DEC3/&
30, DEIC4 OVHD /30R, IC4 RCY/ &
32, BUTANE/332,ALKYLATE/ 40, FUEL GAS/ &
41B, HD5 PROPANE
OUTPUT FORMAT=VOLSUM, STREAMS=1,2,3, &

DESCRIPTION=FEED STREAMS
OUTPUT FORMAT=VOLSUM, STREAMS=40,41B,32,332, &
DESCRIPTION=PRODUCT STREAMS
FORMAT ID=VOLSUM, NAME, &
LRATE(LV,1,2,BBL/DAY)=C2+, &
LRATE(LV,3,BBL/DAY)=PROPANE, &
LRATE(LV,4,BBL/DAY)=I-BUTANE, &
LRATE(LV,5,BBL/DAY)=N-BUTANE, &
LRATE(LV,6,BBL/DAY)=PROPENE, &
LRATE(LV,7,9,BBL/DAY)=BUTENES,&
LRATE(LV,10,BBL/DAY)=PENTANE, &
LRATE(LV,11,23,BBL/DAY)=C6+, &
RATE(LV,BBL/DAY), TEMP, PRES

UNIT OPERATION
FLASH UID=FX,NAME=OLEFIN FD
$ THIS SIMULATES THE OLEFIN FEED FROM
$ THE BOTTOM OF THE OLEFIN DEPROPANIZER
$ (To be added at a later date.)
FEED 2
PROD L=2A
BUBB TEMP=200
FLASH UID=HT3, NAME=PRECHILLER
$ PRECOOLS OLEFIN FEED TO 100 F
FEED 2A
PROD L=2B
ISO TEMP=100,DP=5
PUMP UID=P1
FEED 27
PROD L=27P
OPER PRES=400
HX UID=FB2
COLD FEED=1,1NB,27P,L=10
OPERATION CTEMP=170
COLUMN UID=DEC3, NAME=SAT DEC3

FEED 10,20
CONDENSER TYPE=BUBB,PRES=310
PARA TRAY=40
SPEC RRATIO,VALUE=9.0
SPEC STREAM=12,COMP=3,RATE,VALUE=50.0
DUTY 1,1/2,40
VARY DUTY=1,2
PSPEC PTOP=315,DPCOL=10
PRINT PROP=BRIEF
HX UID=FB2X
OPERATION
DEFINE DUTY AS HX=FB2, DUTY
HX UID=PC1, NAME=ECON PRECOOL
OPERATION HTEMP=100
SPLITTER UID=S1
FEED 26
PROD L=27,L=28
SPEC STREAM=27,RATE(LV),VALUE=75
VALVE UID=V1
FEED 28
PROD M=28V
OPERATION DP=30
HX UID=H2, NAME=ECONOMIZER
HOT FEED=2B,L=20,DP=3
COLD FEED=122,3,28V,DP=1,L=21,V=29
OPERATION HTEMP=65
CONTROLLER UID=C1
SPEC STREAM=21,TEMP,VALUE=55,ATOL=0.002
VARY VALVE=V1,DP,MAXI=70
$--------------------------------------------------
$--- Reactor Section ---
SPLITTER UID=OLSP,NAME=OLEFIN_SPLITTER
FEED 20
PROD V=20A, V=20B, V=20C, V=20D
SPEC STREAM=20A,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20B,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20C,RATE,RATIO, REFF, VALUE=0.25
REACTOR UID=RX1A, NAME=1ST_STAGE

FEED 20A,21,30R,SA1
PROD M=24X
OPERATION PRES=30,ADIABATIC
RXCALC CONV $,REFPHASE=L,REFTEMP=45
$ PROPENE - ISOBUTENE REACTION
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ &
13, 5.9539/ 14, 0.4574/ 15, 0.0731/ &
16, 0.1062/ 17, 0.3969/ 18, 0.0821/ &
19, 0.0594/ 20, 0.6688/ 21, 0.4325/ &
22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
$ ISOBUTENE - ISOBUTANE REACTION
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ &
13, 0.2638/ 14, 2.5703/ 15, 0.3627/ &
16, 0.5101/ 17, 2.1523/ 18, 0.3998/ &
19, 0.2074/ 20, 0.2754/ 21, 0.2134/ &
22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
$ 2-BUTENE - ISOBUTANE REACTION
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ &
13, 0.1703/ 14, 3.3018/ 15, 0.4360/ &
16, 0.5566/ 17, 4.6514/ 18, 0.1852/ &
19, 0.0782/ 20, 0.0891/ 21, 0.0799/ &
22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ &
13, 0.1730/ 14, 3.1778/ 15, 0.5271/ &
16, 0.6466/ 17, 4.2314/ 18, 0.1686/ &
19, 0.0984/ 20, 0.0720/ 21, 0.0761/ &
22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1X,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 1ST STAGE REACTOR
FEED 24X
OVHD V=24A,L=25A
BTMS STREAM=25AX
FOVHD 1,23,1.0/24,0.0
REACTOR UID=RX1B, NAME=2ND_STAGE

FEED 20B,25A,25AX
PROD M=24Y
STOIC 4, -12.3461/ 6, -12.3008/ &

10, 0.5541/ 11, 0.5553/ 12, 2.3756/ &
13, 5.9539/ 14, 0.4574/ 15, 0.0731/ &
16, 0.1062/ 17, 0.3969/ 18, 0.0821/ &
19, 0.0594/ 20, 0.6688/ 21, 0.4325/ &
22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0

STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ &
13, 0.2638/ 14, 2.5703/ 15, 0.3627/ &
16, 0.5101/ 17, 2.1523/ 18, 0.3998/ &
19, 0.2074/ 20, 0.2754/ 21, 0.2134/ &
22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0

STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ &
13, 0.1703/ 14, 3.3018/ 15, 0.4360/ &
16, 0.5566/ 17, 4.6514/ 18, 0.1852/ &
19, 0.0782/ 20, 0.0891/ 21, 0.0799/ &
22, 0.2831
BASE COMP=8
CONVERSION 1.0

STOIC 4,-11.5763/9, -9.9587/10, 0.6877/ &
11, 0.5870/ 12, 0.3016/ 13, 0.1730/ &
14, 3.1778/ 15, 0.5271/ 16, 0.6466/ &
17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ &
23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1Y,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 2ND STAGE REACTOR
FEED 24Y
OVHD V=24B,L=25B
BTMS STREAM=25BX
FOVHD 1,23,1.0/24,0.0
REACTOR UID=RX1C, NAME=3RD_STAGE

FEED 20C,25B,25BX
PROD M=24Z
STOIC 4, -12.3461/6, -12.3008/10, 0.5541/ &

11, 0.5553/ 12, 2.3756 /13, 5.9539/ &
14, 0.4574/ 15, 0.0731/ 16, 0.1062/ &
17, 0.3969/ 18, 0.0821/ 19, 0.0594/ &
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ &
23, 0.0315
BASE COMP=6
CONVERSION 1.0

STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ &
13, 0.2638/ 14, 2.5703/ 15, 0.3627/ &
16, 0.5101/ 17, 2.1523/ 18, 0.3998/ &
19, 0.2074/ 20, 0.2754/ 21, 0.2134/ &
22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ &
13, 0.1703/ 14, 3.3018/ 15, 0.4360/ &
16, 0.5566/ 17, 4.6514/ 18, 0.1852/ &
19, 0.0782/ 20, 0.0891/ 21, 0.0799/ &
22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ 10, 0.6877/ &
11, 0.5870/ 12, 0.3016/ 13, 0.1730/ &
14, 3.1778/ 15, 0.5271/ 16, 0.6466/ &
17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ &
23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1Z,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 3RD STAGE REACTOR
FEED 24Z
OVHD V=24C,L=25C
BTMS STREAM=25CX
FOVHD 1,23,1.0/24,0.0
REACTOR UID=RX1D, NAME=4TH_STAGE
FEED 20D,25C,25CX
PROD M=24ZZ
STOIC 4, -12.3461/ 6, -12.3008/ &
10, 0.5541/ 11, 0.5553/ 12, 2.3756/ &
13, 5.9539/ 14, 0.4574/ 15, 0.0731/ &
16, 0.1062/ 17, 0.3969/ 18, 0.0821/ &
19, 0.0594/ 20, 0.6688/ 21, 0.4325/ &
22, 0.0468/ 23, 0.0315
BASE COMP=6
CONVERSION 1.0
STOIC 4, -8.5683/ 7, -10.5445/ &
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ &
13, 0.2638/ 14, 2.5703/ 15, 0.3627/ &
16, 0.5101/ 17, 2.1523/ 18, 0.3998/ &
19, 0.2074/ 20, 0.2754/ 21, 0.2134/ &
22, 0.5173/ 23, 0.0239
BASE COMP=7
CONVERSION 1.0
STOIC 4,-10.9924/ 8, -11.3233/ &
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ &
13, 0.1703/ 14, 3.3018/ 15, 0.4360/ &
16, 0.5566/ 17, 4.6514/ 18, 0.1852/ &
19, 0.0782/ 20, 0.0891/ 21, 0.0799/ &
22, 0.2831
BASE COMP=8
CONVERSION 1.0
STOIC 4,-11.5763/ 9, -9.9587/ &
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ &
13, 0.1730/ 14, 3.1778/ 15, 0.5271/ &
16, 0.6466/ 17, 4.2314/ 18, 0.1686/ &
19, 0.0984/ 20, 0.0720/ 21, 0.0761/ &
22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1ZZ,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 4TH STAGE REACTOR
FEED 24ZZ
OVHD V=24D, L=25D
BTMS L=25DX
FOVHD 1,23,1.0/ 24,0.0
STCALC UID=SETL, NAME=ACID_SETTLER

$ SEPARATOR/FLASH FOR SETTLING SECTION
FEED 25D/25DX
OVHD V=24E, L=25, PRES=26
BTMS STREAM=SA2, PRES=26
FOVHD 1, 23, 1.0/ 24, 0.0
MIXER UID=VAPR, NAME=RXN_VAPORS

FEED 24A, 24B, 24C, 24D, 24E
PROD V=24

CONTROLLER UID=C2
SPEC STREAM=24, TEMP, VALUE=45, ATOL=0.02
VARY SPLITTER=S1, SPEC, MINI=1, MAXI=1000
$--------------------------------------------------
$--- Refrigeration Circuit ---
FLASH UID=MCOM $ Simulsted in detail outside the
FEED 24,29 $ recycle loops by CMP1, CMP2
BUBB TEMP=100 $ PRES=73 and AFTR
PROD L=26
$--------------------------------------------------
$--- Product Purification Circuit ---
PUMP UID=P2,NAME=EFFL_PUMP
FEED 25
PROD L=251
OPERATION PRES=120
HX UID=FB4X,NAME=EFFL_ALKY
COLD FEED=251, L=253X, DP=5
OPER CTEMP=110
COLUMN UID=DIC4, NAME=DEISOBUTANIZER

PARA SURE=20 TRAYS=42 $ , DAMP=0.9
FEED 253X, 1
PROD OVHD=30, BTMS=31, 1300
DUTY 1,42 $ Set the IC4 recycle (below)
SPEC STREAM=30,RATE(LV),VALUE=2500
SPEC(CHANGE) TRAY=1,TEMPERATURE,VALUE=126.5
VARY DUTY=1
PRESSURE 1,90/42,95
PRINT PROP=BRIEF
HX UID=CON1, NAME=DIC4_COND
UTIL WATER TIN=70,TEMP=80
OPER HLFRAC=1.0
HX UID=FT1, NAME=EFFL_RECL
HOT FEED=301, L=30R, DP=5
OPER HTEMP=62
$

$ The butanizer circuit is solved outside the loop
COLUMN UID=DEC4,NAME=DEBUTANIZER
PARA TRAYS=30
FEED 31,15
COND TYPE=TFIX,TEMP=100,PRES=80
DUTY 1,1/2,30
SPEC STREAM=33, RVP, VALUE=12.0
SPEC RRATIO, VALUE=1.0
VARY DUTY=1, 2
PRESSURE 2, 85/ 30, 90
PRINT PROP=BRIEF
HX UID=FB4,NAME=EFFL_ALKY
OPER CTEMP=110
HX UID=CL4,NAME=ALKY_CLR
UTIL WATER TIN=70, TEMP=80
OPER HTEMP=100
$
$ The deethanizer is solved outside the loop
PUMP UID=P3
FEED 11
PROD L=11A
OPERATION PRES=600
COLUMN UID=DEC2, NAME=DEETHANIZER

FEED 11B,5
CONDENSER TYPE=PART,PRES=420
PARA TRAY=20
SPEC TRAY=1, TEMP, VALUE=100.0
$ HD5 SPEC IS 208 MAX
SPEC STREAM=41,TVP(PSIG),VALUE=203
DUTY 1,1/2,20
VARY DUTY=1,2
PSPEC PTOP=425,DPCOL=10
PRINT PROP=BRIEF
HX UID=FB1
COLD FEED=11A,L=11B,DP=5
HOT FEED=41,L=41A,DP=5
OPERATION HOCO=5
HX UID=CL1
HOT FEED=41A,L=41B,DP=5
UTIL WATER TIN=70,TOUT=80
OPERATION HTEMP=100
$
$ Compressor requirements are calculated after
$ THE RECYCLE LOOPS ARE SOLVED
$
VALVE UID=SCTN, NAME=SUCTION
FEED 24
PROD V=240
OPERATION PRES=23
COMPRESSOR UID=CMP1, NAME=1ST STAGE

FEED 240
PROD V=241
OPERATION EFF=80
DEFINE PRESSURE AS STREAM=29 PRESSURE &
MINUS 1
COMPRESSOR UID=CMP2, NAME=2ND STAGE

FEED 241,29
PROD V=260
DEFINE PRESSURE AS STREAM=26, PRESSURE, &
PLUS 5.0
FLASH UID=AFTR, NAME=AFT_COOL

FEED 260
PROD L=261
BUBB DP=5
RECYCLE
LOOP NO=1, START=P1, END=FT1
LOOP NO=2,START=DEC2,END=FB1
END
Results
The recycle loop 1 converges in 16 trials, and recycle loop 2 con-
verges after 2 trials. The plant produces 1.75 barrels of alkylate per
barrel of olefin feed. This is calculated by summing the C5+ content
of the alkylate stream (stream 332), subtracting the C5 content
already present in the olefin feed (stream 2), and dividing the result
by the olefin present in the olefin feed. The overall material balance
is summarized by the feed stream and product stream user-defined
reports.

Output
Excerpts from the output report are given here. Note that the tem-
perature reported in each reactor stage is not correct because the
REACTOR module does not support three phase equilibrium. The
correct temperature is reported in the stream calculator report where
the acid phase is split off, and a true vapor-liquid equilibrium flash
is performed.
Unit 10, 'H2', 'Economizer'

LMTD, F 22.295
F FACTOR (FT) 1.000
MTD, F 22.295
U*A, BTU/HR-F 76108.817
** WARNING ** The COLD-side temperature changes in the
wrong direction.
----------- -----------
FEED 2B
LIQUID PRODUCT 20
LIQUID, LB-MOL/HR 1519.636 1519.636
M LB/HR 85.533 85.533
CP, BTU/LB-F 0.583 0.551
TOTAL, LB-MOL/HR 1519.636 1519.636
M LB/HR 85.533 85.533

----------- -----------
FEEDS 122, 3, 28V
LIQUID PRODUCT 21
VAPOR PRODUCT 29
VAPOR, LB-MOL/HR 1147.294 1373.179
M LB/HR 62.715 75.197
CP, BTU/LB-F 0.396 0.395
LIQUID, LB-MOL/HR 5389.077 5163.193
M LB/HR 305.054 292.573
CP, BTU/LB-F 0.565 0.564
TOTAL, LB-MOL/HR 6536.372 6536.372
M LB/HR 367.770 367.770

Unit 13, 'RX1A', '1ST_Stage'
INLET OUTLET
----------- -----------
FEED 20A
21
30R
SA1
LIQUID PRODUCT 24X
REACTION DATA
------------ ----------- --------- ----------- ---------
1 C1 4.18022E-14 0.0000 4.18022E-14
2 C2 2.12889E-05 0.0000 2.12889E-05
3 C3 1028.0516 0.0000 1028.0516
4 IC4 10221.6518 -243.4754 9978.1764 0.0238
5 NC4 2568.8713 0.0000 2568.8713
6 PROPENE 9.7206 -9.7206 0.0000 1.0000
7 ISOBUTENE 13.1199 -13.1199 0.0000 1.0000
8 2BUTENE 166.9924 -166.9924 0.0000 1.0000
9 1BUTENE 52.4294 -52.4294 0.0000 1.0000
10 IC5 48.1430 14.9997 63.1427
11 23DMB 9.8309 13.4999 23.3308
12 24MP 2.6443 8.1178 10.7622
13 23MP 2.0386 8.4556 10.4942
14 224MPN 12.0381 68.9835 81.0217
15 24HX 1.1509 9.7141 10.8649
16 23HX 1.1858 12.3313 13.5171
17 234MP 10.1084 93.8660 103.9744
18 225MHX 0.2958 4.1812 4.4770
19 C9s 0.0845 1.9763 2.0608
20 C10s 0.0416 2.5643 2.6058
21 C11s 0.0143 2.1863 2.2006
22 C12s 0.0204 6.2635 6.2838
23 C13s 1.51294E-04 0.0962 0.0964
24 H2SO4 10195.8123 0.0000 10195.8123
TOTAL 24344.2461 -238.5021 24105.7441

Unit 14, 'F1X', '3_Phase'

24X 1.000
ENTHALPY, MM BTU/HR -9.48335
ALTERNATE
VAPOR 24A
LIQUID 25A 25AX
TOTAL RATE,
LB-MOL/HR 13909.932 10195.812 N/A
ENTHALPY, MM BTU/HR 19.39559 -28.87894 N/A

Unit 21, 'SETL', 'Acid_Settler'

25D 1.000
25DX 1.000
ENTHALPY, MM BTU/HR -28.71277
PRODUCTS OVERHEAD BOTTOMS ALTERNATE

PRODUCT
VAPOR 24E
LIQUID 25 SA2
ENTHALPY, MM BTU/HR 5.57478 -29.30244 N/A

Unit 38, 'CMP1', '1ST Stage'
Feeds 240
Products Vapor 241
----------- ---------- ----------
TEMPERATURE, F 44.20 69.89 75.22
PRESSURE, PSIA 23.00 37.94 37.94
CP, BTU/LB-MOL-F 21.5300 22.8538
CV, BTU/LB-MOL-F 19.2324 20.3743
CP/(CP-R) 1.1016 1.0952
CP/CV 1.1195 1.1217
HEAD, FT
ADIABATIC 6725.25
POLYTROPIC 6766.24
ACTUAL 8406.57
WORK, HP
THEORETICAL 773.27
POLYTROPIC 777.98
ACTUAL 966.59
NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS CALCULATED

FROM ASME EQUATIONS

Unit 39, 'CMP2', '2ND Stage'
Feeds 241 29
Products Vapor 260
---------- ---------- ---------
TEMPERATURE, F 70.20 119.36 119.36
PRESSURE, PSIA 37.94 91.91 91.91
CP, BTU/LB-MOL-F 22.5417 25.1987
CV, BTU/LB-MOL-F 20.0536 21.9196
CP/(CP-R) 1.0966 1.0856
CP/CV 1.1241 1.1496
HEAD, FT
ADIABATIC 12297.74
POLYTROPIC 12297.74
ACTUAL 12297.74
WORK, HP
THEORETICAL 1881.20
POLYTROPIC 1881.20
ACTUAL 1881.20
NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS CALCULATED

FROM ASME EQUATIONS

Unit 5, 'DEC3', 'SAT DEC3'

COLUMN SUMMARY
IN/OUT METHOD 56
COLUMN SUMMARY
--------- NET FLOW RATES --------- HEATER
----- ------- -------- ------- -------- -------- ------- ----------
1C 106.2 310.00 4447.5 494.2L -27.4872
2 131.1 315.00 4913.1 4941.7
...
19 174.0 319.47 4580.0 5124.7
20 181.8 319.74 6959.7 5074.2 1958.7L
21 183.6 320.00 6993.9 5495.2
...
39 224.5 324.74 7483.7 5997.7
40R 226.3 325.00 6019.1 1464.5L 30.3572

----- ---------- ------ ---- ---- ------ ----------- -----------
FEED 10 LIQUID 20 1.0000 1958.70 9.1964
PROD 11 LIQUID 1 494.17 1.0590
PROD 12 LIQUID 40 1464.54 11.0188

OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -0.0113
SPEC PARAMETER TRAY COMP SPEC SPECIFIED CALCULATED

--------- --------- ---- ------ ---------- --------- ----------
1 (ACTIVE) UNIT DEC3 1 MOL RRATIO 9.000E+00 9.000E+00
2 (ACTIVE) STRM 12 40 3 MOL RATE 5.000E+01 4.989E+01
REFLUX RATIOS
-------- REFLUX RATIOS --------

--------- --------- ---------

Unit 27, 'DIC4', 'Deisobutaniz'

COLUMN SUMMARY
SURE METHOD 55
COLUMN SUMMARY -------- NET FLOW RATES --------- HEATER

----- ----- -------- ------- ------- -------- -------- ----------
1 124.6 90.00 10938.9 10280.2L 8605.0V
2 125.9 90.12 10964.6 9263.7
3 126.6 90.24 10979.3 9289.4
...
39 143.3 94.63 10841.6 9218.5
40 145.9 94.76 10550.0 9166.4
41 156.4 94.88 9006.3 8874.8
42R 212.7 95.00 7331.1 1675.2L 80.2477

----- -------- ------ ---- ---- ------ ---------- -----------
FEED 253X LIQUID 1 1.0000 10280.23 28.4631
PROD 30 VAPOR 1 8605.03 93.5809
PROD 31 LIQUID 42 1675.20 15.0844
OVERALL
MOLE BALANCE, (FEEDS - PRODUCTS) -4.4057E-13
HEAT BALANCE, (H(IN) - H(OUT)) 0.0455
SPECIFICATIONS
SPEC PARAMETER TRAY COMP SPEC SPECIFIED CALCULATED

----------- --------- ---- ---- ----------- --------- ----------
2 (INACTIVE) TRAY LIQ 1 TEMPERATURE 1.265E+02 1.246E+02

User-Defined Stream Reports

Feed Streams
STREAM ID 1 2 3
NAME SATURATED OLEFIN FEED MAKEUP IC4
FEED
THERMO ID SRK SRK SRK
NAME SATURATED OLEFIN FEED MAKEUP IC4
FEED
STD. LIQ. VOL. RATES, BBL/DAY
1 C2+ 287.9995 0.0000 0.0000
2 PROPANE 2399.9958 215.9996 0.0000
3 I-BUTANE 4499.9921 2279.9960 863.9985
4 N-BUTANE 2399.9958 1199.9979 215.9996
5 PROPENE 0.0000 215.9996 0.0000
6 BUTENES 0.0000 5879.9897 0.0000
7 PENTANE 0.0000 119.9998 0.0000
8 C6+ 0.0000 0.0000 0.0000
RATE, BBL/DAY 9587.9832 9911.9826 1079.9981
TEMPERATURE, F 100.00 100.00 100.00
PRESSURE, PSIA 400.000 215.000 400.000
Product Streams
STREAM ID 40 41B 32 332
NAME FUEL GAS HD5 PROPANE BUTANE ALKYLATE
THERMO ID SRK SRK SRK SRK
NAME FUEL GAS HD5 PROPANE BUTANE ALKYLATE
STD. LIQ. VOL. RATES, BBL/DAY
1 C2+ 132.2988 155.7006 0.0000 0.0000
2 PROPANE 139.4165 2485.1627 2.1779E-11 5.4879E-15
3 I-BUTANE 1.0680E-03 0.2233 573.9812 145.4003
4 N-BUTANE 1.3053E-05 5.0906E-03 2294.0657 1582.4236
5 PROPENE 0.0000 0.0000 0.0000 0.0000
6 BUTENES 0.0000 0.0000 0.0000 0.0000
7 PENTANE 1.1382E-13 5.0231E-10 32.5755 561.1895
8 C6+ 0.0000 0.0000 8.3056E-04 10217.4627
RATE, BBL/DAY 271.7164 2641.0917 2900.6232 12506.4761
TEMPERATURE, F 100.00 100.00 100.00 100.00
PRESSURE, PSIA 420.000 425.000 80.000 80.000

A6 - Ammonia Synthesis
Ammonia is produced from a mixture of hydrogen and nitrogen by
passing it through a bed of Fe-Al2O3-K2O catalyst at high temper-
ature and pressure. Pressures of over 300 atmospheres are typically
used in order to achieve acceptable conversions. Even at high pres-
sure, the conversion of hydrogen is less than 30% per pass. A large
recycle is therefore required in order to return unreacted feed to the
convertor. The flowsheet for the synthesis loop is shown in Figure
A6-1.
Figure A6-1: Ammonia Synthesis Loop
The feedstock for the synthesis loop is a 3:1 mixture of hydrogen

and nitrogen from a natural gas reformer. Air is used to provide the
nitrogen and so some argon is present in the feed. A small amount
of methane is also present. These inert gases build up in the synthe-
sis loop and must be purged at an optimal level.
You must model the synthesis loop in order to investigate the effect
the concentration of inert gases in the loop has on the ammonia pro-
duction.
A6 - Ammonia Synthesis Advanced 6-269
Process Data
The main ammonia product is more than 99.5% pure. The feed to
the synthesis comes from reformed natural gas and is equivalent to
a natural gas consumption of 6 million SCFD. The composition and
thermal condition of the feed to the loop are shown in Table A6-1.
Table A6-1: Feed Information (Stream 28)
Component Rate, lb mole/hour
Hydrogen 2424.30
Nitrogen 807.50
Argon 9.58
Methane 15.16
Temperature, F 95.0
Pressure, psig 4955.0
The compressed synthesis gas is mixed with the recycle stream and
introduced into the synthesis loop after the recycle compressor. The
compressor operates with an outlet pressure of 4950 psig. The gas
mixture is chilled to 40 F and liquid ammonia is removed from the
secondary separator. The vapor is heated and passed to the ammo-
nia converter. The feed is preheated inside the convertor before
entering the catalyst bed.
The ammonia synthesis reaction is:
N 2 + 3H 2 2NH 3 (A6-1)
The reference condition for heat of reaction data is vapor at 800 F

and the heat of reaction is -45.18 x 103 energy units per mole of
nitrogen converted. The equilibrium constant is a function of tem-
perature according to the Arrhenius equation:
Ln(Keq) = A + B/T
Where: A = -32.975
B = 22930.4
The reactor product is cooled to 85 F and the liquid ammonia prod-
uct is removed in the primary separator. A purge is removed after
the primary separator to prevent build up of inerts in the loop. The
molar concentration of inerts (argon and methane) in the convertor
feed is maintained at 12%. You wish to see the effect of increasing
this to 16%.
6-270 Advanced A6 - Ammonia Synthesis

Methods and Data

The thermodynamic properties of the components in this simulation
are suitably modeled by the Modified Soave-Redlich-Kwong
(SRKM) equation of state combined with Rackett liquid densities
(Note 2). SRKM contains the necessary interaction parameters to
predict the correct separation in the separators and generally yields
good results for ammonia plants. The Rackett method is used in
preference to the default API liquid density method because it pro-
vides better predictions for non-hydrocarbons such as N2 and H2.
Simulation Model
The simulation flowsheet for the ammonia synthesis process is
shown in Figure A6.2. Simulation Flowsheet for Ammonia Synthe-
sis Loop
Figure A6-2: Simulation Flow Diagram for Ammonia Synthesis

Note that the process-utility heat exchangers immediately preceding
the separators are combined with the separators. The heat
exchanger/separator combinations (D-6) and (D-7) are modeled as
isothermal flash units with fixed outlet temperature and pressure.
The ammonia converter can be simulated in one of three ways.
1. As a conversion reactor (CONREACTOR) if the reaction con-
version is known.
2. As a plug flow reactor (PLUG) if the kinetic data based on the
catalyst being used in the process are available.
3. As an equilibrium reactor (EQUREACTOR) if the reaction is at
equilibrium or if the temperature or fractional approach to the
equilibrium point is known.
This example chooses the third option; i.e., simulate the ammonia
converter as an equilibrium reactor (RX-7) with a temperature
approach of 20C.
The ammonia product is collected from the primary and secondary
separators. A purge stream is used to prevent inerts (argon and
methane) from building up in the system.
The simulation flowsheet contains a total of three recycle loops.
The main loop runs from the compressor (CP-4) to the splitter (SP1)
and has one tear stream (40). Data is supplied to provide an initial
estimate for stream 40. The other two loops are inner thermal recy-
cle loops. The first one involve the feed preheater (FDEF) and the
converter (RX7) and the second one X-4 and the secondary separa-
tor (D-7). The feed stream (28) only constitutes about 25% of the
stream leaving the feed mixer (MX1). Thus the recycle rate is quite
large and, to obtain sufficient accuracy in the product streams, the
recycle tolerances must be tightened. Note that the tolerances for
the inner thermal loops must be tighter than the tolerances for the
outer loop. Finally, Wegstein acceleration is applied to increase the
speed of the convergence.
Two cases are then run. For the first, the feed to the reactor must
contain 12 mole percent of inerts; for the second 16 mole percent.
These concentrations are achieved using a controller to manipulate
the rate of the purge stream. To avoid interference between the con-
troller and the recycle loops, the controller is placed outside these
and the recycle loops are fully converged at each controller itera-
tion.
To summarize, the simulation flowsheet has four loops:

1. An inner thermal recycle loop involving units D-7 and X-4
(Loop 1 in Figure A6-2 above).
2. An inner thermal recycle loop involving units FDEF and RX7
3. An outer mass recycle loop involving units CP-4 through SP1
4. A control loop to meet the reactor feed inert concentration
specification.
Each time an outer (recycle or controller) loop is updated, all inner
loops must be fully converged. Further, inner loops must be solved
to a tighter tolerance than outer loops. It is clear that the solution to
this simulation with its three layers of nested loops will be quite
inefficient. Below, two alternate solution strategies are discussed
which yield significant improvements in solution speed.
Solution Strategy I: Use Reference Streams to Eliminate

Inner Thermal Recycle Loops
Figure A6-3: Eliminate Recycle Loops Using Reference Streams
Let us first consider the thermal recycle loop involving X-4 and D-
7. Typically, we would solve the mixer MX1 followed by heat
exchanger X-4 (hopefully we would have an initial estimate for tear
stream 32) and then separator D-7. X-4 and D-7 would be solved
repeatedly until convergence. However, it is clear that the flowrate
and composition of stream 30 is the same as for stream 29. Further,
whether we know the temperature and pressure of stream 30 does
not affect the product streams of D-7 since this isothermal flash unit
has a fixed outlet temperature and pressure. We can therefore define
stream 30 as being REFERENCED to stream 29 and provide an ini-
tial estimate for its temperature and pressure. The result of this is
that the flowrate and composition of stream 30 will be automati-
cally updated whenever the conditions of stream 29 change. We can
therefore solve D-7 before X-4 and these two units can be incorpo-
rated into the outer loop from CP-4 to SP1. The temperature and
pressure of stream 30 converge simultaneously with the mass recy-
cle loop.
The above arguments can also be applied to the thermal recycle
loop involving the feed preheater (FDEF) and the converter (RX-7).
Here, stream 34 is referenced to stream 33 and initial estimates for
it's temperature and pressure are provided.
Using the reference streams, the thermal recycle loops are effec-
tively merged with the mass recycle loop. Thus the problem is
reduced to two loops; one large recycle loop which is converged at
every trial of the controller, and the controller loop.
Input Listing for Solution Strategy I

TITLE PROJ=APPBRIEFS, PROB=A6A, USER=SIMSCI, DATE=Nov_2008
PRINT INPUT=NONE, STREAM=PART, RATE=M, MBAL
DIMEN ENGLISH, PRES=PSIG
TOLE STREAM=1.E-4,1.E-4,1.E-4,1.E-4 $ Note 1
SEQUE CP-4, MIX1, D-7, X-4, RX-7, FDEF, D-6, &
SP1, CTL1, D-8
CALC TRIAL=200
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3 &
THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $ Note 2
STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4 $ NOTE 3
FORMAT IDNO=1, NAME, PHASE, CRATE, LINE, RATE(M), &
MW, RATE(W), LINE, &
TEMP, PRES, ENTH, LINE, VAPOR, RATE(G,FT3/D), &
DENS (LB/FT3), LINE, LIQUID, ARATE(V,GAL/M), &
DENS(LB/GAL)
PROP STRM=28, TEMP=95, PRES=4955, &
COMP=1,2424.3/ 2,807.5/ 3,9.58/ 4,15.16
$ Initial estimate for recycle streams
COMP=1,6000/ 2,2000/ 3,500/ 4,1000/ 5,1000
$ Reference stream to eliminate thermal recycle around FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780
$ Reference stream to eliminate thermal recycle around X-4
PROP STRM=30, REFS=29, TEMP=54, PRES=4900
NAME 28, SYN GAS / 40, RECYCLE / 39, PURGE / &

38, PRI SEP / 32, SEC SEP / 34, RX FEED / &
42, LET DWN GAS / 43, NH3 PROD
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3 / 2,-1 / 5,2 $ 3H2 + N2 = 2NH3
EQUI A=-32.975 B=22930.4
HORX REFCOMPONENT=2, HEAT=-45.108, REFTEMP=800
UNIT OPS DATA

COMP UID=CP-4, NAME=RECYCLE COMP
FEED 40
PROD V=41
OPER POUT=4950, EFF=95, WTOL=0.00001
MIXE UID=MIX1
FEED 28,41
PROD M=29
HX UID=X-4
OPER CTEM=85
FLASH UID=D-7, NAME=SEC SEP
FEED 30
PROD L=31, V=32
ISOT TEMP=40, PRES=4840
HX UID=FDEF, NAME=RX EFFL EXCH
OPER HTEM=430
$ SIMULATE THE REACTOR WITH AN EQUILIBRIUM MODEL
EQUREAC UID=RX-7, NAME=CONVERTER
FEED 34
PROD V=35
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ TEMP ESTIMATE
RXCA
RXSTOIC RXSET=1
REACTION 1
BASE COMP=2
APPR DT=20
FLASH UID=D-6, NAME=PRI SEP
FEED 36
PROD V=38, L=37
ISOTHERMAL TEMP=85, PRES=4660
SPLIT UID=SP1, NAME=PURGE
FEED 38
PROD V=39, V=40
SPEC STRE=39, RATE, VALU=70
CONT UID=CTL1
SPEC STRE=32,COMP=3,4,FRAC,VALU=0.12,ATOL=1.0E-3
VARY SPLIT=SP1,SPEC,PCT2=1
CPAR ITER=100, IPRINT
FLASH UID=D-8, NAME=LETDOWN
FEED 31, 37
PROD L=43, V=42
ADIA PRES=350
RECYCLE DATA
END
Solution Strategy II: Converging the Mass Recycle Loop

and Controller Loop Simultaneously
We can make two observations about the mass recycle loop in this
simulation flowsheet:
1. The number of components is quite small and
2. The recycle and controller loops contain the same units.
Given this situation, it is often preferable to solve the tear stream
equations and the controller specification simultaneously using a
MULTIVARIABLE CONTROLLER.
Begin by actually tearing stream 40 and defining a new stream 40R
which enters compressor CP-4, as illustrated in Figure A6-4. The
initial estimate for the recycle stream used above is now used as the
initial estimate for stream 40R. The MVC will be used to vary the
conditions of stream 40R until the calculated conditions of stream
40 are the same (within tolerance) as those of 40R. From the input
data we can see that the temperature and pressure of stream 40 are
fixed by the flash specifications for separator D-6. That automati-
cally satisfies the temperature and pressure balance, so the MVC
only needs to include the equations equating the component flow-
rates of streams 40 and 40R.

Figure A6-4: Simultaneous Convergence Strategy
The following calculator is included as the first unit in the calcula-

tion sequence:
CALC UID=CAL1
DEFINE P(1) AS STRE=40R, RATE, COMP=1
SEQU STRE=40R
PROCEDURE
$ Initial estimate for stream 40R
IF ( R(100).GT.0 ) GOTO 100
R(1) = P(1) $ H2
R(2) = P(2) $ N2
R(3) = P(3) $ A
R(4) = P(4) $ C1
R(5) = P(5) $ NH3
R(100) = 1
GOTO 200
100 CONTINUE
$ Store stream 40R
CALL SRVSTR(SCMR,R(1),40R,1,5)
200 CONTINUE
RETURN
The first time through, the values of the results variables R(1) to
R(5) are set to the flowrates provided as an initial estimate for
stream 40R. Subsequently, the values of the individual R's are mod-
ified by the MVC and the new values are loaded into the stream
using the SRVSTR function.
Finally, we wish to converge the tear stream and controller specifi-
cation simultaneously, hence we include the controller variable

(flowrate of purge stream) and specification (fraction of inerts in
reactor feed) as part of the multivariable controller. Note that since
we have essentially remove the mass recycle loop, the two small
thermal loops will be fully converged at each iteration of the multi-
variable controller.
The input file for this strategy is given below. This strategy is suit-
able when there are only few components and the recycle and con-
troller loops are of similar size.
Input Listing for Solution Strategy II

TITLE PROJ=APPBRIEFS, PROB=A6BG, USER=SIMSCI, DATE=Nov_2008
PRINT INPUT=NONE, STREAM=PART, RATE=M, MBAL
DIMEN ENGLISH, PRES=PSIG
TOLE STREAM=1.E-4,1.E-4,1.E-4,1.E-4 $ Note 1
SEQUE CAL1, CP-4, MIX1, D-7, X-4, RX-7, FDEF, D-6, &
SP1, CTL1, D-8
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3, &
THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $ Note 1
STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4$ NOTE 3
FORMAT IDNO=1, NAME, PHASE, CRATE, LINE, RATE(M), &
MW, RATE(W), LINE, TEMP, PRES, ENTH, &
LINE, VAPOR, RATE(G,FT3/D), DENS(LB/FT3), &
LINE, LIQUID, ARATE(V,GAL/M), DENS(LB/GAL)

COMP=1,2424.3/ 2,807.5/ 3,9.58/ 4,15.16
$ Initial estimate for reference stream
PROP STRM=40R, TEMP=85, PRES=4660, &
COMP=1,6000/ 2,2000/ 3,500/ 4,1000/ 5,1000
$ Reference stream to eliminate thermal recycle around FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780
$ Reference stream to eliminate thermal recycle around X-4
PROP STRM=30, REFS=29, TEMP=54, PRES=4900
NAME 28, SYN GAS / 31R, RECYCLE / 31P, PURGE / &
31, PRI SEP / 36, SEC SEP / 38, RX FEED / &
39, LET DWN GAS / 40, NH3 PROD
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3 / 2,-1 / 5,2 $ 3H2 + N2 = 2NH3
EQUI A=-32.975, B=22930.4
HORX REFCOMPONENT=2, HEAT=-45.108, REFTEMP=800
UNIT OPS DATA
CALC UID=CAL1
SEQU STRE=40R
PROCEDURE
$ Initial estimate for stream 40R
IF ( R(100).GT.0 ) GOTO 100
R(1) = P(1) $ H2
R(2) = P(2) $ N2
R(3) = P(3) $ A
R(4) = P(4) $ C1
R(5) = P(5) $ NH3
R(100) = 1
GOTO 200
100 CONTINUE
$ Store stream 40R
CALL SRVSTR(SCMR,R(1),40R,1,5)
200 CONTINUE
RETURN
COMP UID=CP-4, NAME=RECYCLE COMP
FEED 40R
PROD V=41
OPER POUT=4950, EFF=95, WTOL=0.00001
MIXE UID=MIX1
FEED 28,41
PROD M=29
HX UID=X-4
OPER CTEM=85
FLASH UID=D-7, NAME=SEC SEP
FEED 30
PROD L=31, V=32
ISOT TEMP=40, PRES=4840
HX UID=FDEF, NAME=RX EFFL EXCH
OPER HTEM=430
$ SIMULATE THE REACTOR WITH AN EQUILIBRIUM MODEL
EQUREAC UID=RX-7, NAME=CONVERTER
FEED 34
PROD V=35
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ Temp estimate
RXCA
RXSTOIC RXSET=1
REACTION 1
BASE COMP=2
APPROACH DT=20
FLASH UID=D-6, NAME=PRI SEP
FEED 36
PROD V=38, L=37
ISOTHERMAL TEMP=85, PRES=4660
SPLIT UID=SP1, NAME=PURGE
FEED 38
PROD V=39, V=40
SPEC STRE=39, RATE, VALU=70
MVC UID=CTL1
$ For second execution,
$ Change Spec 1 from VALU=0.12 to VALU=0.16
SPEC STRE=32, COMP=3,4,FRAC, VALU=0.12, ATOL=1.0E-3
SPEC STRE=40, RATE, COMP=1, RATIO, &
STRE=40R, RATE, COMP=1, VALU=1, RTOL=1.E-4
VARY CALC=CAL1,R(1),MINI=100,PCT2=1
VARY SPLIT=SP1,SPEC,PCT2=1
MVCP CYCLES=100
FLASH UID=D-8, NAME=LETDOWN
FEED 31, 37
PROD L=43, V=42
ADIA PRES=350
RECYCLE DATA
END
Input Data
The simulation uses English units with the pressure changed to
psig. A plant mass balance summary output is requested. An initial
estimate is provided for the mass recycle stream. A user-defined

report is specified in the Stream Data category of input (Note 3).
Alternatively, PRO/II with PROVISION's Stream Properties Table
can be used to generate an equivalent user-defined stream output.
The simulation is run twice, once with the fraction of inerts in the
reactor feed specified at 12% and then at 16%. Using keywords,
both cases can be run automatically using a CASESTUDY state-
ment such as:
CASESTUDY OLDCASE=BASECASE, NEWCASE=16PT
CHANGE MVC=CTL1,SPEC(1),VALUE=0.16
Using PRO/II with PROVISION, the inert fraction specification
can be changed through the MVC data entry window, and the simu-
lation executed a second time.
Results
The synthesis loop solves with an ammonia product purity of
99.76%. When the inert concentration in the reactor feed is
increased to 16%, the flowrate of the ammonia product stream
increases by 1.2%. It's purity is now 99.74% A higher concentration
of inerts in the reactor feed stream increases the reactor conversion.
However, a higher recycle flowrate also produces corresponding
increases in the recycle compressor work and in the separator
duties.
Clearly, the value of the increased ammonia must be set against the
increased operating costs in order to determine if the higher inerts
concentration is a better operating strategy.
The simulation can be solved using either solution strategy. Both
approaches yield comparable results. For this flowsheet, the simul-
taneous solution strategy (strategy II) only takes about 20% of the
solution time to solve both the 12% and the 16% case as compared
to the time required by the first strategy. Note however that if the
simulation involved many more components, the first solution strat-
egy would be more efficient.
Conclusions
The model can be used to quantify the effects of any operating
changes although economic analyses are required to identify the
optimum conditions. Other parameters which might be investigated
are: the purity of the feed gas; ratio of recycle to fresh feed; hydro-
gen/nitrogen ratio in the feed; synthesis loop pressure; and the vari-
ous temperature levels in the loop.

Output
The flowsheet is first solved with 12% inerts in the reactor feed.
Using solution strategy I, the simulation converges at the third con-
troller iteration. Each controller iteration involves several recycle
trials. Using solution strategy II, 15 multivariable controller itera-
tions are required to converge the flowsheet. Selected portions of
the output using solution strategy II (for 12% inerts only) are pre-
sented on the following pages. When the inert fraction specification
is changed to 16% and the flowsheet is resolved, strategy I takes 5
controller iterations (again, each of these involves numerous recy-
cle trials), while solution strategy II again requires 15 MVC itera-
tions.
Selected Output for Stategy II (for 12% inerts)

Plant Material Balance
FEED STREAMS: 28 40R
PRODUCT STREAMS: 39 42 43 40

---------------- LB-MOL/HR ---------------- PERCENT
----------- ---------- ---------- ---------- ---------- -------
1 H2 8522.702 -2365.582 6157.120 0.000 0.00
2 N2 2792.531 -788.527 2004.004 0.000 0.00
3 A 753.955 0.000 753.955 0.000 0.00
4 C1 858.650 0.000 858.650 0.000 0.00
5 NH3 845.601 1577.055 2422.656 0.000 0.00
TOTAL 13773.439 -1577.055 12196.384 0.000 0.00

---------------- LB-MOL/HR ---------------- PERCENT
----------- ---------- ---------- ---------- ---------- -------
1 H2 17180.75 -4768.73 12412.02 0.00 0.00
2 N2 78228.51 -22089.40 56139.11 0.00 0.00
3 A 30118.98 0.00 30118.98 0.00 0.00
4 C1 13775.12 0.00 13775.12 0.00 0.00
5 NH3 14401.06 26858.13 41259.19 0.00 0.00
TOTAL 153704.41 0.00 153704.41 0.00 0.00

MVC Summary
UNIT 10, 'CTL1'
BEST CYCLE = 14
VARIABLE SPECIFIED CALCULATED RELATIVE RELATIVE
VALUE VALUE VALUE TOLERANCE ERROR
------------ ------------ ------------ ------------ ------------
1 6.09840E+03 1.20000E-01 1.20001E-01 8.33333E-03 5.89989E-06
2 1.98503E+03 1.00000E+00 1.00003E+00 1.00000E-04 2.61307E-05
3 7.44375E+02 1.00000E+00 1.00003E+00 1.00000E-04 2.72351E-05
4 8.43490E+02 1.00000E+00 1.00001E+00 1.00000E-04 8.91922E-06
5 8.45601E+02 1.00000E+00 1.00000E+00 1.00000E-04 8.00576E-07
6 6.71307E+01 1.00000E+00 9.99960E-01 1.00000E-04 -3.96374E-05
CONVERGENCE HISTORY
----------- ----------- ----------- ----------- -----------
VARY 1 6.0000E+03 6.0600E+03 6.0600E+03 6.0600E+03 6.0600E+03
VARY 2 2.0000E+03 2.0000E+03 2.0200E+03 2.0200E+03 2.0200E+03
VARY 3 5.0000E+02 5.0000E+02 5.0000E+02 5.0500E+02 5.0500E+02
VARY 4 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03 1.0100E+03
VARY 5 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03 1.0000E+03
VARY 6 7.0000E+01 7.0000E+01 7.0000E+01 7.0000E+01 7.0000E+01
SPEC 1 1.1487E-01 1.1434E-01 1.1416E-01 1.1449E-01 1.1514E-01
REL ERR -4.28E-02 -4.72E-02 -4.87E-02 -4.59E-02 -4.05E-02
SPEC 2 1.0009E+00 9.9918E-01 9.9853E-01 9.9840E-01 9.9795E-01
REL ERR 9.03E-04 -8.21E-04 -1.47E-03 -1.60E-03 -2.05E-03
SPEC 3 1.0007E+00 9.9905E-01 9.9831E-01 9.9818E-01 9.9773E-01
REL ERR 6.85E-04 -9.49E-04 -1.69E-03 -1.82E-03 -2.27E-03
SPEC 4 1.0054E+00 1.0055E+00 1.0055E+00 1.0053E+00 1.0053E+00
REL ERR 5.41E-03 5.45E-03 5.47E-03 5.28E-03 5.29E-03
SPEC 5 9.9603E-01 9.9608E-01 9.9610E-01 9.9611E-01 9.9597E-01
REL ERR -3.97E-03 -3.92E-03 -3.90E-03 -3.89E-03 -4.03E-03
SPEC 6 8.4133E-01 8.4418E-01 8.4592E-01 8.4641E-01 8.4793E-01
REL ERR -1.59E-01 -1.56E-01 -1.54E-01 -1.54E-01 -1.52E-01
SUM SQ ERR 2.7051E-02 2.6553E-02 2.6161E-02 2.5749E-02 2.4819E-02

MVC Summary
UNIT 10, 'CTL1' (Cont)
----------- ----------- ----------- ----------- -----------
VARY 1 6.0600E+03 6.0600E+03 6.2408E+03 6.1150E+03 6.1022E+03
VARY 2 2.0200E+03 2.0200E+03 2.0689E+03 2.0229E+03 1.9813E+03
VARY 3 5.0500E+02 5.0500E+02 5.1636E+02 5.8330E+02 7.1981E+02
VARY 4 1.0100E+03 1.0100E+03 1.0646E+03 1.0043E+03 8.6846E+02
VARY 5 1.0100E+03 1.0000E+03 8.4410E+02 8.6471E+02 8.3686E+02
VARY 6 7.0000E+01 7.0700E+01 6.9926E+01 6.4348E+01 5.8051E+01
SPEC 1 1.1514E-01 1.1514E-01 1.1741E-01 1.1940E-01 1.2002E-01
REL ERR -4.05E-02 -4.05E-02 -2.16E-02 -5.00E-03 1.55E-04
SPEC 2 9.9794E-01 9.9788E-01 9.8889E-01 9.9530E-01 1.0004E+00
REL ERR -2.06E-03 -2.12E-03 -1.11E-02 -4.70E-03 3.94E-04
SPEC 3 9.9772E-01 9.9766E-01 9.8868E-01 9.9512E-01 1.0004E+00
REL ERR -2.28E-03 -2.34E-03 -1.13E-02 -4.88E-03 4.06E-04
SPEC 4 1.0053E+00 1.0052E+00 1.0054E+00 1.0037E+00 1.0013E+00
REL ERR 5.27E-03 5.22E-03 5.38E-03 3.69E-03 1.31E-03
SPEC 5 9.9592E-01 9.9590E-01 9.9613E-01 9.9732E-01 1.0004E+00
REL ERR -4.08E-03 -4.10E-03 -3.87E-03 -2.68E-03 3.81E-04
SPEC 6 8.3952E-01 8.4787E-01 1.0312E+00 9.9262E-01 1.0128E+00
REL ERR -1.60E-01 -1.52E-01 3.12E-02 -7.38E-03 1.28E-02
SUM SQ ERR 2.7449E-02 2.4837E-02 1.7322E-03 1.4626E-04 1.6479E-04
CYCLE 11 CYCLE 12 CYCLE 13 CYCLE 14

----------- ----------- ----------- -----------
VARY 1 6.1042E+03 6.1072E+03 6.1026E+03 6.0984E+03
VARY 2 2.0055E+03 1.9846E+03 1.9838E+03 1.9850E+03
VARY 3 6.5510E+02 7.2603E+02 7.4273E+02 7.4437E+02
VARY 4 9.3540E+02 8.6348E+02 8.4557E+02 8.4349E+02
VARY 5 8.5328E+02 8.4817E+02 8.4573E+02 8.4560E+02
VARY 6 6.4478E+01 6.3669E+01 6.6139E+01 6.7131E+01
SPEC 1 1.1988E-01 1.2002E-01 1.2000E-01 1.2000E-01
REL ERR -9.59E-04 1.86E-04 1.16E-05 5.90E-06
SPEC 2 9.9750E-01 9.9967E-01 9.9997E-01 1.0000E+00
REL ERR -2.50E-03 -3.27E-04 -3.18E-05 2.61E-05
SPEC 3 9.9738E-01 9.9967E-01 9.9998E-01 1.0000E+00
REL ERR -2.62E-03 -3.27E-04 -2.22E-05 2.72E-05
SPEC 4 1.0019E+00 1.0006E+00 1.0001E+00 1.0000E+00
REL ERR 1.95E-03 6.50E-04 1.31E-04 8.92E-06
SPEC 5 9.9846E-01 9.9991E-01 1.0001E+00 1.0000E+00
REL ERR -1.54E-03 -9.27E-05 5.12E-05 8.01E-07
SPEC 6 9.9961E-01 9.9914E-01 1.0002E+00 9.9996E-01
REL ERR -3.92E-04 -8.58E-04 1.73E-04 -3.96E-05
SUM SQ ERR 2.0376E-05 1.4145E-06 5.1527E-08 3.1107E-09

Recycle Compressor Summary

UNIT 2, 'CP-4', 'RECYCLE COMP'
Feeds 40R
Products Vapor 41
----------- ----------- -----------
TEMPERATURE, F 85.00 94.30 94.80
PRESSURE, PSIG 4660.00 4950.00 4950.00
CP, BTU/LB-MOL-F 8.2395 8.2505
CV, BTU/LB-MOL-F 5.3627 5.3907
CP/(CP-R) 1.3176 1.3170
CP/CV 1.5364 1.5305
WEIGHT PCT TOTAL SOLID 0.0000 0.0000 0.0000
HEAD, FT
ADIABATIC 5095.26
POLYTROPIC 5097.51
ACTUAL 5363.44
WORK, HP
THEORETICAL 323.25
POLYTROPIC 323.39
ACTUAL 340.26

CALCULATED FROM ASME EQUATIONS
** WARNING ** UNIT 2, 'CP-4', 'RECYCLE COMP' -
The feed contains one or more non-vapor phases.
Therefore, the calculation results should be
used with caution.

Heat Exchanger(Converter Preheater) Summary

UNIT 7, 'FDEF', 'RX EFFL EXCH'
LMTD, F 352.974
F FACTOR (FT) 0.432
MTD, F 152.617
U*A, BTU/HR-F 326288.031

----------- -----------
FEED 35
VAPOR PRODUCT 36
VAPOR, LB-MOL/HR 11846.292 11846.292
M LB/HR 147.764 147.764
CP, BTU/LB-F 0.689 0.677
TOTAL, LB-MOL/HR 11846.292 11846.292
M LB/HR 147.764 147.764
PRESSURE, PSIG 4730.000 4700.000

----------- -----------
FEED 33
VAPOR PRODUCT 34
VAPOR, LB-MOL/HR 13423.347 13423.347
M LB/HR 147.764 147.764
CP, BTU/LB-F 0.722 0.692
TOTAL, LB-MOL/HR 13423.347 13423.347
M LB/HR 147.764 147.764
PRESSURE, PSIG 4790.000 4760.000

Equilibrium Reactor Summary

(Ammonia Converter)
Unit 6, 'RX-7', 'CONVERTER'
** WARNING ** UNIT 6, 'RX-7', 'CONVERTER' - Activity BASIS
has been changed to Partial Pressure for the
Vapor phase reaction.

INLET OUTLET
----------- -----------
FEED 34
VAPOR PRODUCT 35
PRESSURE, PSIG 4760.0000 4730.0000

---------- ----------- ----------- ----------- -----------
1 H2 8519.8599 -2365.5823 6154.2776 0.2777
2 N2 2791.5902 -788.5274 2003.0628 0.2825
3 A 753.4442 0.0000 753.4442
4 C1 857.3669 0.0000 857.3669
5 NH3 501.0859 1577.0548 2078.1407
TOTAL 13423.3471 -1577.0548 11846.2922
LB-MOL/HR FRACTION
--------------- --------- ----------- ------------
2 N2 1 788.5274 0.2825
REACTOR MASS BALANCE ------- Rates, LB/HR ----------- Fraction

------------ ----------- ----------- ----------- -----------
1 H2 17175.0160 -4768.7302 12406.2858 0.2777
2 N2 78202.1544 -22089.3965 56112.7579 0.2825
3 A 30098.5904 0.0000 30098.5904
4 C1 13754.5329 0.0000 13754.5329
5 NH3 8533.7726 26858.1263 35391.8989
TOTAL 147764.0664 0.0000 147764.0660


STREAM ID 28 29 30 31
NAME SYN GAS
PHASE VAPOR VAPOR MIXED LIQUID
THERMO ID SRKM01 SRKM01 SRKM01 SRKM01

1 H2 2424.3000 8522.7021 8522.7021 2.8422
2 N2 807.5000 2792.5310 2792.5310 0.9408
3 A 9.5800 753.9546 753.9546 0.5104
4 C1 15.1600 858.6501 858.6501 1.2832
5 NH3 0.0000 845.6011 845.6011 344.5152
TOTAL RATE,
LB-MOL/HR 3256.5400 13773.4389 13773.4389 350.0918
TEMPERATURE, F 95.0000 93.5800 59.5550 40.0000

PRESSURE, PSIG 4955.0000 4950.0000 4900.0000 4840.0000
ENTH, MM BTU/HR 1.1014 12.1577 7.3371 0.2119
MOLE FRAC VAPOR 1.0000 1.0000 0.9893 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0107 1.0000
STREAM ID 32 33 34 35
NAME SEC SEP RX FEED

1 H2 8519.8599 8519.8599 8519.8599 6154.2776
2 N2 2791.5902 2791.5902 2791.5902 2003.0628
3 A 753.4442 753.4442 753.4442 753.4442
4 C1 857.3669 857.3669 857.3669 857.3669
5 NH3 501.0859 501.0859 501.0859 2078.1407
TOTAL RATE,
LB-MOL/HR 13423.3471 13423.3471 13423.3471 11846.2922
TEMPERATURE, F 40.0000 85.0000 565.4894 926.5598

PRESSURE, PSIG 4840.0000 4790.0000 4760.0000 4730.0000
ENTH, MM BTU/HR 3.4445 8.2651 58.0620 104.7620
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 0.0000

Stream Molar Component Rates (Continued)

STREAM ID 36 37 38 39
NAME PRI SEP PURGE
PHASE VAPOR LIQUID VAPOR VAPOR

1 H2 6154.2776 16.7890 6137.4886 38.9272
2 N2 2003.0628 5.3069 1997.7559 12.6708
3 A 753.4442 4.3116 749.1326 4.7514
4 C1 857.3669 8.4922 848.8748 5.3840
5 NH3 2078.1407 1227.1759 850.9648 5.3973
TOTAL RATE,
LB-MOL/HR 11846.2922 1262.0755 10584.2168 67.1307
TEMPERATURE, F 430.0000 85.0000 85.0000 85.0000

PRESSURE, PSIG 4700.0000 4660.0000 4660.0000 4660.0000
ENTH, MM BTU/HR 54.9650 1.8248 10.2556 0.0650
MOLE FRAC VAPOR 1.0000 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 1.0000 0.0000 0.0000
STREAM ID 40 40R 41 42
NAME RECYCLE LET DWN GAS
PHASE VAPOR MIXED VAPOR VAPOR

1 H2 6098.5614 6098.4021 6098.4021 18.7491
2 N2 1985.0851 1985.0310 1985.0310 5.9298
3 A 744.3812 744.3746 744.3746 4.3081
4 C1 843.4908 843.4901 843.4901 7.8101
5 NH3 845.5676 845.6011 845.6011 31.8312
TOTAL RATE,
LB-MOL/HR 10517.0861 10516.8989 10516.8989 68.6282
TEMPERATURE, F 85.0000 85.0000 94.7967 80.6403

PRESSURE, PSIG 4660.0000 4660.0000 4950.0000 350.0000
ENTH, MM BTU/HR 10.1906 10.1904 11.0562 0.3276
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 1.0000
MOLE FRAC LIQUID 0.0000 5.0275E-06 0.0000 0.0000

Stream Molar Component Rates (Continued)

STREAM ID 43
NAME NH3 PROD
PHASE LIQUID
THERMO ID SRKM01
Table A8-1: FLUID RATES, LB-MOL/HR

1 H2 0.8821
2 N2 0.3179
3 A 0.5139
4 C1 1.9652
5 NH3 1539.8599
PRESSURE, PSIG 350.0000

A7 - MTBE Synthesis-reactive Distillation

Figure A7-1: Simplified MTBE Plant Schematic
A7 - MTBE Synthesis-reactive Distillation Advanced 6-291

You have been asked to design the reaction and recovery sections of
a 200,000 metric tonne per year methyl tertiary butyl ether (MTBE)
plant The MTBE is formed from reactions with iso-butylene and
methanol in a standard reactor, and in a reactive distillation column.
Process Data
A simplified schematic of the process flowsheet is shown in Figure
A7-1.1 The feed stream information is given in Table A7-1.
Table A7-1: Feed Stream Information
C4s Feed MeOH Feed Recycle
Stream 2 Stream 1 Stream 20
Component kg mole/hour kg mole/hour kg mole/hour
1) N-Butane 76.5 -- --
2) Iso-Butane 348.5 -- --
3) 1-Butene 59.5 -- --
4) 2-cis-Butene 34.0 -- --
5) 2-trans-Butene 51.0 -- --
6) iso-Butene 280.5 -- --
7) MTBE -- -- --
8) Methanol -- 277.5 --
9) tert-Butyl Alcohol -- -- 7.0
10) Water -- -- 0.2
Total 850.0 277.5 7.2
Temperature, C 16.0 16.0 44.0
Pressure, kPa 1620.0 1620.0 1724.0
The feed stream is preheated to 43.5 C before being sent to the reac-
tor where the three reactions shown in Table A7-2 take place. In the
main reaction, 96% of the methanol reacts with IBTE to form
MTBE.
Table A7-2: Reaction Stoichiometry
Reaction Base Comp. Conversion, %
2 IBTE <=> DIB IBTE 0.25
IBTE + H2O <=> TBA H2O 100.00
1. For a more comprehensive simulation of the MTBE process, please see

the example of a Methyl Tertiary Butyl Ether (MTBE) Plant in the
PRO/II Casebook manual.
6-292 Advanced A7 - MTBE Synthesis-reactive Distillation
Reaction Base Comp. Conversion, %

IBTE + MEOH <=> MTBE MEOH 96.00
The MTBE reactive distillation column follows the reactor. The

MTBE column feed is first heat exchanged with the column bot-
toms product. The IBTE further reacts in the column to give an
overall conversion to MTBE approaching 99%. The kinetics of the
reaction
[ C A C B0.5 C B0.5 K ]
r = k s K A -------------------------------------------------- mol/gcat.h (A7-1)
[ 1 + KA CA + KC CC ]
is given by the following expressions2:
where:
A,B,C = Methanol, IBTE, and MTBE respectively
ks = 4.32 x 1016exp(-87900/RT)
KA = 5.1 x 10-13exp(97500/RT)
K = exp(-17.31715 + (7196.776/T))
KC = 1.6 x 10-16exp(119000/RT)
The methanol has a higher boiling point than the MTBE. However,
the unreacted methanol forms an azeotrope with the C4's in the feed
and is fractionated away from the MTBE bottoms product. The
MTBE product is greater than 99.5% pure, and requires no further
purification.
Methods and Data

All the components in the simulation are in the PRO/II databanks.
The NRTL liquid activity VLE method is adequate for the thermo-
dynamic calculations. Interaction parameters missing from the
NRTL databank are supplied by UNIFAC. All the azeotropes are
properly predicted.
SimulationMethods
The feed preheater is modeled by a simple heat exchanger (HX-1).
The heated feed stream is then sent to the conversion reactor (RX-1)
where all three reactions specified in Table A7.2 occur at their spec-
ified conversion levels. The column feed heat exchanger loop is
effectively removed by referencing the column feed stream 4 to the
2. The kinetic expressions presented here are intended to be used only for
purposes of demonstration.
reactor product stream 5. This means that stream 4 takes its compo-
sition and rate from 5, but its temperature and pressure are calcu-
lated by the heat exchanger after the MTBE column when both
streams are known.
The heat exchanger product is fed onto tray 23 of the 40 tray MTBE
column. Reaction of the IBTE and MeOH to MTBE occurs in the
liquid phase on the tray above the feed, tray 22. The liquid volume
on tray 22 is specified, while the reaction rate is calculated via in-
line kinetics in a Procedure Data Section.
Input Data
The simulation uses SI units. A plant mass balance summary output
is requested. Note how the reaction tray in the MTBE column is
specified (Note 1). The catalyst concentration in g/l is specified
using a DEFINE statement (Note 2).
Input Data File

TITLE PROJECT= Appbriefs, PROBLEM= MTBE Plant, USER=SimSci
DIMENSION SI, TEMP=C
PRINT INPUT= ALL, STREAM= COMPONENT, MBAL
$
COMP DATA
LIBID 1, NC4 / & $ N-BUTANE
2, IC4 / & $ I-BUTANE
3, 1BUTENE / & $ BUTENE-1
4, BTC2 / & $ CIS BUTENE-2
5, BTT2 / & $ TRANS BUTENE-2
6, IBTE / & $ ISO BUTENE
7, MTBE / & $ METHYL TERTIARY BUTYL ETHER
8, MEOH / & $ METHANOL
9, TBA / & $ TERT BUTYL ALCOHOL
10, H2O / & $ WATER
11, 244TM1P,,DIB & $ DI-ISO BUTYLENE & ISOMERS
THERMO DATA
METHOD SYSTEM=NRTL, TRANSPORT=PURE, SET=S1,DEFAULT
KVALUE(VLE) FILL=UNIFAC
METHOD SYSTEM(VLLE)=NRTL, L1KEY=1, L2KEY=10, SET=S2

KVALUE(VLLE) FILL=UNIFAC
STREAM DATA
PROP STRM= 1, TEMP=16, PRES=1620, COMP=8,277.5

PROP STRM= 2, TEMP=16, PRES=1620, COMP=9/41/7/4/6/33, &
RATE=850, NORMALIZE
PROP STRM=5, TEMP=72, PRES=1482, REFS=4
PROP STRM=20, TEMP=44, PRES=1724, COMP=9,7.0/10,0.2
NAME 1, MEOH FEED / 2, OLEFINS / 20, MEOH RECYC/ &

6, T-1 OVHD / 8, MTBE / 11, C4'S / &
15, FLARE GAS / MKUP,MKUP WATER
OUTPUT FORMAT = CHEMICAL
RXDATA
$
$ REACTION DATA FOR REACTORS
$
RXSET ID=MTBE
REACTION ID=1
STOIC 6,-2 / 11,1 $ IBTE + IBTE => DIB
REACTION ID=2
STOIC 10,-1 / 6,-1 / 9,1 $ H2O + IBTE => TBA
REACTION ID=3
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH => MTBE
$
$ COLUMN REACTION DATA
$
RXSET ID=COLMTBE
REACTION ID=MTBE
STOICH 6, -1/8, -1/7, 1
PROCEDURE DATA
PROCEDURE(RXKINE) ID=MTBE, NAME=MTBE KINETIX
PARA MAXNOR=1
PDATA GCAT
CODE
REAL K , KA , KC , KS , LITRES
INTEGER IBTE , MEOH , MTBE
R = 8.314
TK = ((RTEMP-32.0)/1.8) + 273.15
IBTE = 6
MTBE = 7
MEOH = 8
LITRES = RLVOLU * 1000.0
GCATX = GCAT * LITRES
$
$ Calculate surface reaction rate constant, KS,
$ and equilibrium adsorption constants KA and KB.
$ Activation energy is in J/gram mole.
$ Units: KS - (Ggram mole/gm catalyst)**1.5 /hour
$ KA - gm catalyst / mole
$ KC - gm catalyst / mole
$
KS = 6.0E+16 * EXP(-87900.0/(R * TK))
KA = 5.1E-13 * EXP( 97500.0/(R * TK))
KC = 1.6E-16 * EXP(119000.0/(R*TK))
$
$ ---- CALCULATE THE EQUILIBRIUM CONSTANT.
$
$ UNITS - (GM-MOLES/GM-CATALYST)/HOUR
$ PHASE - LIQUID PHASE REACTION
$
K = EXP(-17.31715 + (7196.776 / TK))
$
RHOA = (XLCONC(MEOH)/GCAT)
RHOB = (XLCONC(IBTE)/GCAT)
RHOC = (XLCONC(MTBE)/GCAT)
$
$ CALCULATE DENSITY IN MOLES / VOLUME
$
RDEN = 1.0 + ( KA * RHOA ) + ( KC * RHOC )
$
$ -- RATE EQUATION
$
FACT1 = KS * KA / RDEN
FACT2 = RHOA*RHOB**0.5 - ((RHOC**1.5)/ K)
RATE = FACT1 * FACT2
RRATES(1) = RATE * GCATX * 1000.0 / LITRES
RETURN
UNIT OPS
HX UID=HX-1, NAME=FEED HEAT

COLD FEED=1,2,20, L=3, DP=34.5
OPER CTEMP=43.5
CONREACTOR UID=RX-1, NAME=REACTORS

FEED 3
PROD L=4
OPER TEMP=55, DP=69
RXCALC MODEL=STOIC
RXSTOIC RXSET=MTBE
REACTION 1
BASE COMP=6
CONV 0.0025
REACTION 2
BASE COMP=10
CONV 1.00
REACTION 3
BASE COMP=8
CONV 0.96
$
$ REACTIVE DISTILLATION.
COLUMN UID=T-1, NAME=MTBE COLUMN
PARA TRAY=40, CHEM=80, DAMP=0.6
FEED 5, 23
PROD OVHD=6, BTMS=7,280
PSPEC TOP=656, DPCOL=41.5

COND TYPE=TFIX, PRES=621, TEMP=43.5
DUTY 1,1 / 2,40
VARY DUTY=1,2
SPEC STRM=7, RATE, VALUE=278.0
SPEC RRATIO, VALUE=1.0
PRINT ITER=PART, XYDATA, PROP=Brief

PLOT LOG XCOMP=6,6/ 8, 8/ 7, 7/1,1
$$
RXTRAY REFE=COLMTBE, LOCAL=L_MTBE, &
KPROC=MTBE, TRAY=22
RXSET LOCAL=L_MTBE
REACTION ID=MTBE, COPTION=KINETICS
$$
LVOL(FT3) 22,28
ESTI MODEL=CHEM
DEFINE GCAT AS 12.4 $ Note 2
HX UID=HX-2B, NAME=FEED-BTMS
COLD FEED=4, L=5X, DP=34.5
HOT FEED=7, L=8, DP=34.5
OPER CTEMP=72
END
Results
Overall, 98.8% of the IBTE was converted to MTBE, with 96% of
that occuring in the reactor and the remainder in the MTBE reactive
distillation column. The MTBE product stream was over 99.5%
pure.
Output
The following data were extracted from the PRO/II output:
1. Reactor summary
2. MTBE reactive distillation column summary
3. Stream output for selected streams.
4. Plot of column compositions
Conversion Reactor Summary

Unit 2, 'RX-1', 'REACTORS'
DUTY, M*KJ/HR -8.3358
TOTAL HEAT OF REACTION AT 25.00 C, M*KJ/HR -17.4759
INLET OUTLET
---------- -----------
FEED 3
LIQUID PRODUCT 4
TEMPERATURE, C 43.50 55.00
PRESSURE, KPA 1585.5000 1516.5000
REACTION DATA -------- RATES, KG-MOL/HR -------- FRACTION

----------- ---------- ---------- ---------- ---------
1 NC4 76.5000 0.0000 76.5000
2 IC4 348.5000 0.0000 348.5000
3 1BUTENE 59.5000 0.0000 59.5000
4 BTC2 34.0000 0.0000 34.0000
5 BTT2 51.0000 0.0000 51.0000
6 IBTE 280.5000 -267.3013 13.1987 0.9529
7 MTBE 0.0000 266.4000 266.4000
8 MEOH 277.5000 -266.4000 11.1000 0.9600
9 TBA 7.0000 0.2000 7.2000
10 H2O 0.2000 -0.2000 0.0000 1.0000
11 DIB 0.0000 0.3506 0.3506
TOTAL 1134.7000 -266.9506 867.7494
KG-MOL/HR FRACTION
-------------- -------- ----------- -----------
6 IBTE 1 0.7012 2.50000E-03
10 H2O 2 0.2000 1.0000
8 MEOH 3 266.4000 0.9600

Conversion Reactor Summary

Unit 2, 'RX-1', 'REACTORS' (Continued)
----------- Rates, KG/HR ------------ Fraction

---------- ----------- ----------- ----------- --------
1 NC4 4446.4402 0.0000 4446.4402
2 IC4 20256.0055 0.0000 20256.0055
3 1BUTENE 3338.3975 0.0000 3338.3975
4 BTC2 1907.6557 0.0000 1907.6557
5 BTT2 2861.4836 0.0000 2861.4836
6 IBTE 15738.1597 -14997.6105 740.5491 0.9529
7 MTBE 0.0000 23483.0730 23483.0730
8 MEOH 8891.6994 -8536.0314 355.6680 0.9600
9 TBA 518.8596 14.8246 533.6842
10 H2O 3.6031 -3.6031 0.0000 1.0000
11 DIB 0.0000 39.3454 39.3454
TOTAL 57962.3042 0.0000 57962.3022
MTBE Reactive Column Summary

Unit 3, 'T-1', 'MTBE COLUMN'
CHEM METHOD 58
COLUMN SUMMARY
DEG C KPA KG-MOL/HR M*KJ/HR
------ ------- -------- -------- -------- --------- --------- ------------
1C 43.5 621.00 585.7 585.7L -22.8381
2 52.8 656.00 623.3 1171.4
3 53.4 657.09 622.4 1209.0
4 53.8 658.18 621.7 1208.1
*** Report omitted for trays 5-20 ***
21 73.1 676.75 458.7 1089.5
22 81.5 677.84 430.5 1044.4
23 86.0 678.93 1163.6 1020.2 867.7M
24 107.9 680.03 1196.6 885.6
25 121.3 681.12 1256.3 918.6
*** Report omitted for trays 26-37 ***
38 129.1 695.32 1304.7 1025.7
39 129.1 696.41 1305.7 1026.7
40R 129.2 697.50 1027.7 278.0L 23.3580

MTBE Reactive Column Summary (Continued)

Unit 3, 'T-1', 'MTBE COLUMN'
----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 5 MIXED 23 0.9376 867.75 9.8152
PROD 6 LIQUID 1 585.70 3.4682
PROD 7 LIQUID 40 278.00 7.0140
OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) 4.05

TOTAL HEAT OF REACTION AT STANDARD CONDITIONS -0.2652
TOTAL HEAT OF REACTION AT PROII ENTHALPY BASIS CONDITIONS -0.1471
SPECIFICATIONS
------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) STRM 7 40 MOL RATE 2.780E+02 2.780E+02
2 (ACTIVE) UNIT T-1 1 MOL RRATIO 1.000E+00 1.000E+00

--------- --------- ---------
MOLAR REACTION RATES KG-MOL/HR (Reactions occur only on tray 22)

---------- ---------- ---------- ----------
1 NC4 0.0000 0.0000 0.0000 0.0000
2 IC4 0.0000 0.0000 0.0000 0.0000
3 1BUTENE 0.0000 0.0000 0.0000 0.0000
4 BTC2 0.0000 0.0000 0.0000 0.0000
5 BTT2 0.0000 0.0000 0.0000 0.0000
6 IBTE 0.0000 -4.0512 0.0000 0.0000
7 MTBE 0.0000 4.0512 0.0000 0.0000
8 MEOH 0.0000 -4.0512 0.0000 0.0000
9 TBA 0.0000 0.0000 0.0000 0.0000
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.0000
TEMPERATURE, C 73.091 81.458 86.037 107.861

PRESSURE, KPA 676.750 677.842 678.934 680.026
VOLUME(L), M3 0.793

Figure A7-2: Column Compositions

STREAM ID 1 2 3 4

1 NC4 0.0000 76.5000 76.5000 76.5000
2 IC4 0.0000 348.5000 348.5000 348.5000
3 1BUTENE 0.0000 59.5000 59.5000 59.5000
4 BTC2 0.0000 34.0000 34.0000 34.0000
5 BTT2 0.0000 51.0000 51.0000 51.0000
6 IBTE 0.0000 280.5000 280.5000 13.1987
7 MTBE 0.0000 0.0000 0.0000 266.4000
8 MEOH 277.5000 0.0000 277.5000 11.1000
9 TBA 0.0000 0.0000 7.0000 7.2000
10 H2O 0.0000 0.0000 0.2000 0.0000
11 DIB 0.0000 0.0000 0.0000 0.3506
TOTAL RATE,
KG-MOL/HR 277.5000 850.0000 1134.7000 867.7494
TEMPERATURE, C 16.0000 16.0000 43.5000 55.0000

PRESSURE, KPA 1620.0000 1620.0000 1585.5000 1516.5000
ENTHALPY, M*KJ/HR 0.3468 1.7776 6.0227 7.3510
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000


STREAM ID 5 5X 6 7
1 NC4 76.5000 76.5000 76.5000 8.3687E-07
2 IC4 348.5000 348.5000 348.5000 8.6708E-10
3 1BUTENE 59.5000 59.5000 59.5000 1.7726E-09
4 BTC2 34.0000 34.0000 34.0000 4.3351E-08
5 BTT2 51.0000 51.0000 51.0000 1.2209E-08
6 IBTE 13.1987 13.1987 9.1476 1.2543E-10
7 MTBE 266.4000 266.4000 5.4506E-07 270.4512
8 MEOH 11.1000 11.1000 7.0488 1.3969E-06
9 TBA 7.2000 7.2000 1.7829E-03 7.1982
10 H2O 0.0000 0.0000 0.0000 0.0000
11 DIB 0.3506 0.3506 4.3317E-11 0.3506
TOTAL KG-MOL/HR 867.7494 867.7494 585.6982 278.0000
TEMPERATURE, C 72.0000 72.0000 43.5000 129.2318
PRESSURE, KPA 1482.0000 1482.0000 621.0000 697.5000
ENTHALPY, M*KJ/HR 9.8152 9.8152 3.4682 7.0140
MOLE FRAC VAPOR 0.0000 0.0000 0.0000 0.0000
MOLE FRAC LIQUID 1.0000 1.0000 1.0000 1.0000
STREAM ID 8 20
NAME MTBE MEOH RECYC
PHASE LIQUID LIQUID
THERMO ID S1 S1
1 NC4 8.3687E-07 0.0000
2 IC4 8.6708E-10 0.0000
3 1BUTENE 1.7726E-09 0.0000
4 BTC2 4.3351E-08 0.0000
5 BTT2 1.2209E-08 0.0000
6 IBTE 1.2543E-10 0.0000
7 MTBE 270.4512 0.0000
8 MEOH 1.3969E-06 0.0000
9 TBA 7.1982 7.0000
10 H2O 0.0000 0.2000
11 DIB 0.3506 0.0000
TOTAL RATE, KG-MOL/HR 278.0000 7.2000
TEMPERATURE, C 84.8694 44.0000
PRESSURE, KPA 663.0000 1724.0000
ENTHALPY, M*KJ/HR 4.5498 0.0670

A8 - Air Separation Plant

This application brief models the air separation plant shown in Fig-
ure A8-1. The air separation plant produces approximately 1500
tonnes per day of oxygen. Most of this oxygen is produced as vapor
with only about 7.5% as liquid. The marketing department of your
company has determined that it would be better to produce more
liquid product and you must define a base case model for this to be
investigated.
The Argon Column takes a vapor side draw from the LP Column
and returns its bottom product to the tray below the draw. The argon
product is drawn overhead.
Before entering the columns, the carbon dioxide and water are
removed from the feed air. The details of the feed are shown in
Table A8-1. The traces of rare gases other than argon are ignored.
Table A8-1: Stream 1 Feed Air Composition
Component Mole %
1 Nitrogen 78.11
2 Argon 0.93
3 Oxygen 20.96
Total Rate, kg mole / hour 9386.00
Temperature, K 278.00
Pressure, atm 6.00
The air fed to the bottom of the HP Column is precooled to its dew
point by exchange with the gaseous products. Ten percent of the
feed air is split off and fed to the LP Column at 5K above its dew
point.
Because the main uses of nitrogen are to exclude oxygen, the nitro-
gen product must contain very little oxygen. In this process, the
amount of oxygen in the nitrogen product must not exceed 10ppm.
Impurities in the oxygen product are not as tightly controlled but the
purity must be greater than 99.5%.
Argon is also used to exclude oxygen and may also contain only
very small amounts of oxygen as an impurity.
A8 - Air Separation Plant Advanced 6-303

Figure A8-1: Air Separation Flowsheet
However, the relative volatility of argon to oxygen is about 1.1 at

the top of the Argon Column and so it is not practical to remove all
the oxygen by distillation. The expected purity is about 98%. The
6-304 Advanced A8 - Air Separation Plant

argon product is further treated by catalytic deoxygenation where
the remaining oxygen is burned with hydrogen. This process is not
simulated here.
Methods and Data

The importance of accurate thermodynamic calculations for this
simulation cannot be overemphasized. The product purities are
specified in terms of parts per million and temperature differences
are only a few degrees. Any inaccuracies in the thermodynamic cal-
culations must, therefore, have a significant effect on the results.
The Soave-Redlich-Kwong equation of state is suitable for the equi-
librium, enthalpy and vapor density calculations for the components
in this simulation.Ideal liquid densities are used as they give better
results for these components than the default API method.
However, the boiling points of nitrogen and oxygen are only 13K
apart and those of nitrogen and argon are only separated by 3K. It is
therefore essential to use binary interaction parameters obtained
near those conditions used in the process for each pair of compo-
nents in order to obtain an accurate simulation model.
This simulation uses separate interaction data for the high and low
pressure sections of the process. The low pressure nitrogen/argon
interaction parameter is taken from the literature. The nitrogen/oxy-
gen and the argon/oxygen interactions were obtained by regressing
literature data for the specific pressure range using the REGRESS
program. For the HP column, the nitrogen/argon interaction is
assumed to be ideal.
Simulation Model
The focus of this exercise is the separation of constituent gases from
the air, and not the utility costs. This allows some simplifications,
such as omitting models of compressors and expanders that exist in
an actual plant.
The calculations start by solving the HP Column, and then setting
the products to the pressures and liquid fractions for the LP Column
feeds. The LP and Argon Columns next solve along with the recy-
cle they comprise. After the recycle converges, the E1E2 exchanger
solves. To ensure that there are no temperature crossovers, the sim-
ulation includes heat exchanger models for the HP Column con-
denser, LP Column reboiler, and the Argon Column condenser.

Input Data
The simulation uses Metric units with temperatures in Kelvin and
pressures in atmospheres. The threshold limit for recycle conver-
gence is tightened to ensure that the small amount of nitrogen in the
recycle is checked when determining the convergence (Note 1). In
order to check the overall material balance, the PRINT MBAL
option instructs PRO/II to print out an overall balance over the
flowsheet.
An initial estimate must be supplied for the return stream to the LP
Column from the Argon column because the argon product flowrate
is low compared to the return stream - about 4% of the feed.
Because the argon product purity is controlled by the operation of
the LP Column, a recovery specification is used on the Argon Col-
umn. A third of the argon in the feed is typically recovered over-
head and the condenser duty can be varied in order to meet this. The
expected argon product purity is in the region of 98%.
Once the distillation columns have been solved, the exchangers
between the HP and LP Columns can be calculated. The simulation
flowsheet is shown in Figure A8.2. The exchangers E1 and E2 are
combined into the LNGHX unit E1E2.
Exchangers E3 and E4 are the Argon and HP Column condensers.
The streams AV1 and HPV are created from the vapor flow into the
condensers using the TFLOW statement. LPL is created from the
liquid flow into the LP Column reboiler which is the other side of
the HP Column condenser. These exchangers are modeled in order
to enable PRO/II to check that the temperature levels are correct -
i.e. there are no crossovers.
The duty on the first stream in exchanger E1E2 is set equal to that
calculated in E1 when setting the LP Column feed condition. The
duty on the second stream in E1E2 is defined as the duty of E2
minus the duty of the Argon Column condenser. The condenser
duty is actually negative so it is added to the E2 duty on the
DEFINE statement to give the cooling duty in E1E2 (Note 2).
The duties of E3 and E4 are simply defined as the same as that of
the corresponding column condenser. If temperature crossovers
occur, PRO/II will automatically print an error message.

Input Data File

TITLE PROBLEM=A8, PROJECT=APPBRIEFS, USER=SIMSCI
DIME METRIC, TEMP=K, PRES=ATM
PRINT MBAL, STREAM=PART, RATE=M, FRAC=M
TOLERANCE STREAM=,,1.0E-5 $NOTE 1
COMPONENT DATA
LIBID 1,NITROGEN/2,ARGON/3,OXYGEN, &
BANK=simsci, Process
THERMODYNAMIC DATA
$ Low pressure data
METHOD SYSTEM=SRK, DENS(L)=IDEAL, SET=1, DEFAULT
KVAL(VLE)
SRK 1,3, -0.00694/ 1,2, 0.0056/ &
2,3, 0.01574
$ High pressure data
METHOD SYSTEM=SRK, DENS(L)=IDEA, SET 2
KVAL(VLE)
SRK 1,3, -0.01089/ 1,2, 0.0/ &
2,3, 0.01697
STREAM DATA
PROP STRM=1, TEMP=278, PRES=6, RATE=9386, &
COMP=78.11/0.93/20.96
$ RECYCLE FROM ARGON COLUMN - INITIAL ESTIMATE
PROP STRM=16, PHASE=L, PRES=1.32, &
COMP=0.0/10/90,RATE=1800
NAME 1,AIR FEED/ 8,HP BTMS / 12,HP OVHD/&
15,ARG FEED/ 16,ARG BTMS/ 17,AR PRODUCT/ &
21,O2 LIQUID
UNIT OPERATIONS
$ ************** Column Section **************
SPLITTER UID=SPL1,NAME=FEED SPLIT
FEED 1
PROD M=2,M=3
SPEC STRM=3,RATE,RATIO,STRM=1,VALUE=0.1
METHOD SET=2
FLASH UID=DEW
FEED 2
PROD V=5
DEW DP=0
HX UID=DTAD
HOT FEED=3, M=7, DP=4.6
OPER HDTAD=5

COLUMN UID=HP, NAME=HP COLUMN
PARA TRAY=44
FEED 5,44
TFLOW NET(V)=HPV,2
PSPEC TOP=5.8, DPCOL=.16
COND TYPE=BUBBLE
HEAT 1,1
ESTI REFLUX=5500, MODEL=CONV
SPEC STREAM=12, COMP=3, PPM, VALUE=10
VARI HEAT=1
METHOD SET=2
HX UID=E1
HOT FEED=12,M=14,DP=4.6
OPER HLFR=.9
HX UID=E2
HOT FEED=8,M=11,DP=4.55
OPER HLFR=.45
COLUMN UID=LP,NAME=LP COLUMN

PARA TRAY=69
FEED 14,1/11,28/7,32/16,45
TFLOW NET(L)=LPL,68
PROD OVHD=18,7800, BTMS=21, &
VDRAW=22,69,1800/ 15,44,1875
HEAT 1,69,8
ESTI REFLUX=3500 MODEL=CONV
SPEC DUTY(1) RATIO COLUMN=HP DUTY(1) VALUE=-1
SPEC STREAM=18, COMP=3, PPM, VALUE=10
VARIABLES HEAT=1, DRAW=22
PLOT PROFILE, XCOMP=1,1/2,2/3,3, YCOMP=1,1/2,2/3,3
METHOD SET=1
COLUMN UID=ARG, NAME=ARGON COLUMN

PARA TRAY=55
FEED 15,55
TFLOW NET(V)=AV1,2
HEAT 1,1,-3
PRINT PROP=BRIEF
ESTI REFLUX=1500, MODEL=CONV
COND TYPE=PARTIAL
SPEC STRE=17, COMP=2, RATE, RATIO, &
STRE=15, VALUE=0.3333
VARI HEAT=1
METHOD SET=1
$ ************* Inter-column Heat Exchangers *************
LNGHX UID=E1E2
HOT FEED=12,M=13
HOT FEED=8,M=9
COLD FEED=18,M=19
DEFINE DUTY(1) AS 1.0000 MULTIPLY HX=E1 DUTY
DEFINE DUTY(2) AS HX=E2 DUTY PLUS &
COLU=ARG DUTY(1) $ NOTE 2
VALVE UID=V2
FEED 9
PROD M=10
OPER DP=4.55
HX UID=E3,NAME=AR CONDENSER
COLD FEED=10, M=11A
HOT FEED=AV1, L=AL1
DEFINE DUTY AS -1.0000 MULTIPLY COLU=ARG DUTY(1)
HX UID=E4, NAME=HP CONDENSER $ .. AND LP REBOILER

COLD FEED=LPL, M=LPL1
HOT FEED=HPV, L=HPV1
DEFINE DUTY AS -1.0000 MULTIPLY COLU=HP DUTY(1)
END
Results
The HP Column solves with a condenser duty of 10.46GCal/hr. The
overhead product is 99.83% nitrogen with the remainder mostly
argon. The LP Column reboiler duty is the same as that of the HP
Column condenser. The nitrogen product contains slightly more
argon than the HP Column product and is 99.72% pure. The oxygen
content is the same in both column products at the 10ppm which
was specified.
7.6% of the oxygen is produced as liquid. The purity of the liquid
and gas products are 99.7% and 99.6% respectively. These are both
above the desired value of 99.5%.
The argon product is 97.6% pure with 1.8% oxygen and 0.6% nitro-
gen. The product rate is 3.2% of the feed from the LP Column. The
condenser duty is 2.96GCal/hr.
All the exchangers solve correctly which confirms that there are no
temperature crossovers. The nitrogen into the HP Column con-
denser is at a temperature of 96.2K and the oxygen into the LP Col-
umn reboiler is at 94.8K. Because the streams are changing phase,
there is very little temperature change through the exchanger.
The argon entering the Argon Column condenser is at 88.9K and is
exchanging with the LP Column oxygen product. This oxygen
stream is heated from 84.0K to 85.5K within the condenser.
The nitrogen product from the LP Column is heated from 79.1K to
96.3K in the LNGHX unit E1E2.
Conclusions
The base case model successfully simulates the current perfor-
mance. The amount of liquid oxygen is not specified directly but is
determined by the overall heat balance of the system. The addi-
tional cooling required for more liquid product will require reduc-
ing the enthalpy of the column feeds.
These studies can now be carried out to investigate the feasibility of
more liquid products.
Output
Selected PRO/II output is shown below. This shows the overall
mass balance, the condenser/reboiler between the HP and LP col-
umns and the intercolumn LNG exchanger output.
The summary output is shown for the LP Column. The concentra-
tion plot shows that the argon product is drawn from the LP Column
where the argon concentration is at its maximum.
Finally, the stream component molar fractions are shown for all the
streams in the flowsheet, including the column pseudo-product
streams.

Plant Material Balance

FEED STREAMS: 1 HPV LPL
AV1 8_R1 12_R1
PRODUCT STREAMS: 17 21 22
13 19 AL1
11A HPV1 LPL1
---------------- KG-MOL/HR ---------------- PERCENT

--------------------- ---------- ---------- ---------- ---------- -------
1 NITROGEN 22966.610 0.000 22966.610 0.000 0.00
2 ARGON 2139.222 0.000 2139.461 -0.239 -0.01
3 OXYGEN 10357.641 0.000 10357.289 0.352 0.00
TOTAL 35463.473 0.000 35463.359 0.114 0.00
------------------ KG/HR ------------------ PERCENT

--------------------- ---------- ---------- ---------- ---------- -------
1 NITROGEN 643374.64 0.00 643374.64 0.00 0.00
2 ARGON 85457.64 0.00 85467.18 -9.54 -0.01
3 OXYGEN 331432.09 0.00 331420.82 11.27 0.00
TOTAL 1.060E+06 0.00 1.060E+06 1.73 0.00

HP Condenser/LP Reboiler
UNIT 12, 'E4', 'HP CONDENSER'
DUTY, M*KCAL/HR 10.416

LMTD, K 1.180
F FACTOR (FT) 1.000
MTD, K 1.180
U*A, KCAL/HR-C 8826959.592

----------- -----------
FEED HPV
LIQUID PRODUCT HPV1
K*KG/HR 253.976
CP, KCAL/KG-K 0.299
K*KG/HR 253.976
CP, KCAL/KG-K 0.572
TOTAL, KG-MOL/HR 9057.255 9057.255
K*KG/HR 253.976 253.976
PRESSURE, ATM 5.800 5.800

----------- -----------
FEED LPL
MIXED PRODUCT LPL1
K*KG/HR 205.741
CP, KCAL/KG-K 0.226
LIQUID, KG-MOL/HR 6614.758 190.638
K*KG/HR 211.844 6.104
CP, KCAL/KG-K 0.422 0.422
TOTAL, KG-MOL/HR 6614.758 6614.758
K*KG/HR 211.844 211.844
VAPORIZATION, KG-MOL/HR 6424.120
PRESSURE, ATM 1.568 1.568

LNG Heat Exchanger

UNIT 9, 'E1E2'
Operating Conditions Overall
-----------
Duty, M*KCAL/HR 0.9870
Hot Side Conditions CELL1 CELL2
Feeds 12_R1 8_R1

Products Liquid 13 9
Total, KG-MOL/HR 3941.321 4506.079

KG/HR 110519.157 134115.803
Inlet Conditions
Temp, K 96.040 100.686
Press, ATM 5.800 5.960
L/F 0.9061 0.9570
Outlet Conditions
Quantity Specified Duty Duty
Temp, K 95.393 96.411
Press, ATM 5.800 5.960
L/F 1.0000 1.0000
Condensation,KG-MOL/HR 370.088 193.944

Duty, M*KCAL/HR -0.4661 -0.5208
Cold Side Conditions CELL3
Feeds 18
Products Vapor 19
Total, KG-MOL/HR 7359.625

KG/HR 206505.726
Inlet Conditions
Temp, K 78.861
Press, ATM 1.170
L/F 0.0000
Outlet Conditions
Quantity Specified N/A
Temp, K 97.502
Press, ATM 1.170
L/F 0.0000
Vaporization,KG-MOL/HR 0.000
Duty, M*KCAL/HR 0.9870

LP Column Summary
Unit 7, 'LP', 'LP COLUMN'
IN/OUT METHOD 16
COLUMN SUMMARY
DEG K ATM KG-MOL/HR M*KCAL/HR
------ ------- -------- -------- -------- --------- --------- ------------
1 78.9 1.17 3533.3 3941.3M 7359.6V
2 79.0 1.18 3528.4 6951.6
3 79.0 1.18 3522.4 6946.7
4 79.2 1.19 3515.2 6940.7
5 79.3 1.19 3506.6 6933.5
*** This listing omits trays 6 to 24, normally included in this report ***
25 84.8 1.31 3052.9 6488.6

26 85.0 1.32 3039.5 6471.2
27 85.2 1.32 3029.7 6457.8
28 85.3 1.33 5025.9 6448.0 4506.1M
29 85.8 1.34 4991.6 3938.1
30 86.5 1.34 4952.3 3903.8
31 87.2 1.35 4913.8 3864.5
32 87.9 1.35 4863.0 3826.0 938.6V
33 89.6 1.36 4807.7 2836.6
34 91.1 1.37 4778.9 2781.3
42 93.4 1.41 4765.5 2738.6

43 93.5 1.42 4765.8 2739.1
44 93.6 1.43 4765.7 2739.4 1875.0V
45 93.6 1.43 6599.2 4614.3 1821.4L
46 93.7 1.44 6599.7 4626.5
47 93.7 1.44 6600.1 4626.9
65 94.7 1.55 6611.6 4637.9

66 94.8 1.56 6612.6 4638.8
67 94.8 1.56 6613.7 4639.8
68 94.9 1.57 6614.8 4640.9
69R 94.9 1.57 4642.0 1781.4V 10.4166
191.4L

Unit 7, 'LP', 'LP COLUMN' (Continued)

TYPE STREAM PHASE

----- ------------ ------ ---- ---- ------ ------------ ------------
FEED 14 MIXED 1 0.8978 3941.32 -11.0646
FEED 11 MIXED 28 0.4465 4506.08 -9.2560
FEED 7 VAPOR 32 0.0000 938.60 -1.3426
FEED 16 LIQUID 45 1.0000 1821.40 -4.8798
PROD 18 VAPOR 1 7359.62 -11.7859
PROD 15 VAPOR 44 1875.00 -1.9423
PROD 22 VAPOR 69 1781.37 -1.8853
PROD 21 LIQUID 69 191.41 -0.5130
PSEUDO PRODUCT STREAMS

----- ------------ ------ ---- ---- ------ ------------ ------------
NET LPL LIQUID 68 6614.76 -17.7279

SPECIFICATIONS

------------- --------- ---- ------ ------------- ---------- ----------
1 (ACTIVE) UNIT LP 69 DUTY -1.000E+00 -1.000E+00
2 (ACTIVE) STRM 18 1 3 MOL PPM 1.000E+01 1.000E+01

Unit 7, 'LP', 'LP COLUMN' (Continued)

Figure A8-2: Composition Profile

Stream Component Fractions

STREAM ID AL1 AV1 HPV HPV1
NAME
PHASE MIXED VAPOR VAPOR LIQUID
THERMO ID 1 1 2 1
FLUID MOLAR FRACTIONS

1 NITROGEN 3.7939E-04 3.7939E-04 0.9977 0.9977
2 ARGON 0.9856 0.9856 2.3149E-03 2.3149E-03
3 OXYGEN 0.0141 0.0141 9.9986E-06 9.9986E-06
TEMPERATURE, K 88.9612 88.9691 96.0563 96.0369

PRESSURE, ATM 1.1500 1.1500 5.8000 5.8000
ENTHALPY, M*KCAL/HR -4.3881 -1.4117 -13.9391 -24.3555
MOLE FRAC VAPOR 0.0273 1.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.9727 0.0000 0.0000 1.0000
STREAM ID LPL LPL1 1 2

NAME AIR FEED
PHASE LIQUID MIXED VAPOR VAPOR
THERMO ID 1 1 2 2

1 NITROGEN 2.7392E-16 2.7392E-16 0.7811 0.7811
2 ARGON 3.4196E-03 3.4196E-03 9.3000E-03 9.3000E-03
3 OXYGEN 0.9966 0.9966 0.2096 0.2096
TEMPERATURE, K 94.8631 94.8699 278.0000 278.0000

PRESSURE, ATM 1.5681 1.5681 6.0000 6.0000
MOLE FRAC VAPOR 0.0000 0.9712 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0288 0.0000 0.0000


STREAM ID 3 5 7 8
NAME HP BTMS
PHASE VAPOR VAPOR VAPOR LIQUID
THERMO ID 2 1 1 2

1 NITROGEN 0.7811 0.7811 0.7811 0.5917
2 ARGON 9.3000E-03 9.3000E-03 9.3000E-03 0.0154
3 OXYGEN 0.2096 0.2096 0.2096 0.3929
TEMPERATURE, K 278.0000 100.7264 89.7336 100.6864

PRESSURE, ATM 6.0000 6.0000 1.4000 5.9600
MOLE FRAC VAPOR 1.0000 1.0000 1.0000 0.0000
MOLE FRAC LIQUID 0.0000 0.0000 0.0000 1.0000
STREAM ID 8_R1 9 10 11
NAME
PHASE MIXED LIQUID MIXED MIXED
THERMO ID 1 1 1 1

1 NITROGEN 0.5917 0.5917 0.5917 0.5917
2 ARGON 0.0154 0.0154 0.0154 0.0154
3 OXYGEN 0.3929 0.3929 0.3929 0.3929
TEMPERATURE, K 100.6864 96.4112 84.0240 85.5421

PRESSURE, ATM 5.9600 5.9600 1.4100 1.4100
MOLE FRAC VAPOR 0.0430 0.0000 0.1296 0.5500
MOLE FRAC LIQUID 0.9570 1.0000 0.8704 0.4500


STREAM ID 11A 12 12_R1 13
NAME HP OVHD
PHASE MIXED LIQUID MIXED LIQUID
THERMO ID 1 2 1 1

1 NITROGEN 0.5917 0.9977 0.9977 0.9977
2 ARGON 0.0154 2.3149E-03 2.3149E-03 2.3149E-03
3 OXYGEN 0.3929 9.9986E-06 9.9986E-06 9.9986E-06
TEMPERATURE, K 85.7063 96.0397 96.0397 95.3933

PRESSURE, ATM 1.4100 5.8000 5.8000 5.8000
MOLE FRAC VAPOR 0.5868 0.0000 0.0939 0.0000
MOLE FRAC LIQUID 0.4132 1.0000 0.9061 1.0000
STREAM ID 14 15 16 17
NAME ARG FEED ARG BTMS AR PRODUCT
PHASE MIXED VAPOR LIQUID VAPOR
THERMO ID 1 1 1 1

1 NITROGEN 0.9977 4.8679E-05 1.2154E-05 1.2926E-03
2 ARGON 2.3149E-03 0.0844 0.0579 0.9859
3 OXYGEN 9.9986E-06 0.9156 0.9421 0.0128
TEMPERATURE, K 79.0470 93.5734 92.7874 88.9613

PRESSURE, ATM 1.2000 1.4255 1.3200 1.1500
MOLE FRAC VAPOR 0.1000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.9000 0.0000 1.0000 0.0000


STREAM ID 18 19 21 22
NAME O2 LIQUID
PHASE VAPOR VAPOR LIQUID VAPOR
THERMO ID 1 1 1 1

1 NITROGEN 0.9962 0.9962 7.1077E-17 2.7996E-16
2 ARGON 3.8338E-03 3.8338E-03 2.2600E-03 3.4542E-03
3 OXYGEN 1.0000E-05 1.0000E-05 0.9977 0.9965
TEMPERATURE, K 78.8608 97.5025 94.9096 94.9096

PRESSURE, ATM 1.1700 1.1700 1.5740 1.5740
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 1.0000
MOLE FRAC LIQUID 0.0000 0.0000 1.0000 0.0000

Section 7: Specialty
This section contains examples of a diverse variety of features
available in PRO/II.
S1 - Upstream Calculations
A natural gas stream is cooled by two linked refrigeration circuits,
the first using a propane refrigerant and the second using ethane.
The Upstream Unit Operation of useful utility calculations that
allows properties to be calculated for typical pipeline calculation
methods. These include:
Gas/Oil Ratio (GOR)

Liquid Dropout on a Temperature/Pressure grid
Relative Volume
Constant Volume Depletion
The crude stream is the same one used for the R1 problem.
Upstream Gas-Oil Ratio Calculations

The gas-oil ratio (GOR) is the ratio of the volume of gas to the
volume of liquid. The upstream unit operation in PRO/II allows
conditioning the petroleum by flashing it sequentially under
conditions similar to bringing up from an underground reservoir.
The purpose of this example is to determine the GOR of the crude
oil stream used.
Table S1-1: Feed Stream Composition
Comp Flow Comp Flow
Component Moles/Hr Component Moles/Hr
1 N2 0.39 13 C9s 0.55
2 CO2 3.47 14 C10s 0.33
3 C1 80.17 15 C11s 0.24
4 C2 6.28 16 C12s 0.20
5 C3 2.75 17 C13s 0.21
6 iC4 0.43 18 C14s 0.18
7 nC4 0.88 19 C15s 0.15
8 iC5 0.31 20 C16s 0.11
9 nC5 0.35 21 C17s 0.12
S1 - Upstream Calculations Speciality 7-321

Comp Flow Comp Flow

10 nC6 0.54 22 C18s 0.09
11 C7s 0.72 23 C19s 0.08
12 C8s 0.88 24 C20s 0.57
The stream first is conditioned by flashing of the vapor at the

following conditions:
Table S1-2: Initial Flash Conditions
Temperature (C) Pressure (Bar)

100 100
60 30
30 10
15 1
Next, the residual liquid is flashed at standard conditions (60F and

14.696 psia). The resulting vapor volume/liquid volume ratio is
reported. Note that the volume ratio is reported in problem volume
units. If the problem volume units are different for vapor and
liquid, its useful create an output set of units to make sure that the
GOR report is on a common basis.
GOR Keyword Input file

TITLE PROJECT=AppBriefs, PROBLEM=ApBrS1-GOR, USER=SIMSCI
DESC Find GOR using Upstream Unit
PRINT INPUT=NONE, STREAM=COMPONENT
DIMENSION METRIC, PRES=BAR, XDENSITY=SPGR, STDTEMP=15,
STDPRES=1
SEQUENCE ASENTERED
COMPONENT DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/
9,NC5/ & 10,NC6,
BANK=PROCESS,SIMSCI
PETRO 11,C07,96,0.753
PETRO 12,C08,106,0.761
PETRO 13,C09,118,0.779
PETRO 14,C10,132,0.787
PETRO 15,C11,149,0.788
PETRO 16,C12,163,0.799
PETRO 17,C13,175,0.82
PETRO 18,C14,194,0.831
7-322 Speciality S1 - Upstream Calculations

PETRO 19,C15,203,0.833
PETRO 20,C16,217,0.838
PETRO 21,C17,235,0.836
PETRO 22,C18,247,0.842
PETRO 23,C19,255,0.852
PETRO 24,C20+,396,0.867
ASSAY FIT=SPLINE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=PR, SET=1, DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=148.9, PRESSURE=524,
PHASE=M, &
COMPOSITION(M,KGM/H)=1,0.39/2,3.47/3,80.17/4,6.28/
5,2.75/ &
6,0.43/7,0.88/8,0.31/9,0.35/10,0.54/11,0.72/12,0.88/
13,0.55/ &
14,0.33/15,0.24/16,0.2/17,0.21/18,0.18/19,0.15/
20,0.11/ &
21,0.12/22,0.09/23,0.08/24,0.57
UNIT OPERATIONS
UPSTREAM UID=CALC_GOR
FEED FEED
PRODUCT V=VAPOR, L=LIQUID, W=WATER
OPERATION GOR
GOR 100, 100/ &
60, 30 / &
30, 10/ &
15, 1
END

GOR Output
At 60 F and 1 atmosphere, the GOR =66.4 on a volume/volume
basis.
UPSTREAM Unit Summary

Unit 1, 'CALC_GOR'
GAS-OIL RATIO CALCULATION
Feeds 1
Products Vapor VAPOR

Liquid LIQUID
Point Temperature Pressure

C BAR
----- ----------- --------
1 100.0000 100.0000
2 60.0000 30.0000
3 30.0000 10.0000
4 15.0000 1.0000
Liquid Reference Pressure, BAR 1.0000

Vapor Reference Pressure, BAR 1.0000
Liquid Reference Temperature, deg C 15.0000
Vapor Reference Temperature, deg C 15.0000
Gas-Oil Ratio, M3/ M3 2481.097

Upstream Liquid Dropout Calculations

This example validates the liquid dropout data taken for a liquid
condensate stream with the following composition and conditions:
Comp Flow Comp Flow
1 N2 0.39 13 C9s 0.55
2 CO2 3.47 14 C10s 0.33
3 C1 80.17 15 C11s 0.24
4 C2 6.28 16 C12s 0.20
5 C3 2.75 17 C13s 0.21
6 iC4 0.43 18 C14s 0.18
7 nC4 0.88 19 C15s 0.15
8 iC5 0.31 20 C16s 0.11
9 nC5 0.35 21 C17s 0.12
10 nC6 0.54 22 C18s 0.09
11 C7s 0.72 23 C19s 0.08
12 C8s 0.88 24 C20s 0.57
Liquid dropout data for validation are given in Table S1-4:

Table S1-4: Liquid Dropout Data to Validate
Dropout Dropout
Pressure, 100*Vol Liq/ Pressure, 100*Vol Liq/
psia Vol Vap psia Vol Vap
5200 0.72 2800 9.3
4800 4.7 2400 9.5
4400 6.3 2000 9.5
4000 7.9 1600 9.4
3600 8.5 1200 9.1
3200 9.2 800 8.7
Reference Temperature 300 F Reference Pressure 5500 psia
The dropout rate is the volume of liquid that condenses at 300 F

relative to the volume at 5500 psia. The rate of liquid increases as
you lower pressure because of the retrograde condensation
behavior. Eventually the condensate reaches a maximum and then
evaporates back out.

Liquid Dropout Keyword Input File

TITLE PROJECT=AppBriefs, PROBLEM=ApBrS1-LDROP, USER=SIMSCI
DESC Validate Liquid Drpoput using Upstream Unit
PRINT INPUT=NONE
DIMENSION ENGLISH, STDTEMP=60.0008, STDPRES=14.6959
COMPONENT DATA
LIBID 1,N2/ 2,CO2/ 3,C1 / 4,C2 / 5,C3 / &
6,IC4/ 7,NC4/ 8,IC5/ 9,NC5/10,NC6, &
BANK=SIMSCI,PROCESS
PETRO 11,C07,96,56.4149
PETRO 12,C08,106,54.4395
PETRO 13,C09,118,50.1431
PETRO 14,C10,132,48.2967
PETRO 15,C11,149,48.0685
PETRO 16,C12,163,45.5964
PETRO 17,C13,175,41.0611
PETRO 18,C14,194,38.7767
PETRO 19,C15,203,38.3679
PETRO 20,C16,217,37.3544
PETRO 21,C17,235,37.7583
PETRO 22,C18,247,36.5522
PETRO 23,C19,255,34.5798
PETRO 24,C20+,396,31.7065
ASSAY CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=1
STREAM DATA
PROPERTY STREAM=FEED, TEMP=300.02, PRESSURE=7600, &
PHASE=M, COMPOSITION(M,KGM/H)= 1, 0.39/ 2, 3.47/ &
3,80.17/ 4, 6.28/ 5, 2.75/ 6, 0.43/ 7, 0.88/ &
8, 0.31/ 9, 0.35/ 10, 0.54/ 11, 0.72/ 12, 0.88/ &
13, 0.55/ 14, 0.33/ 15, 0.24/ 16, 0.2 / 17, 0.21/ &
18, 0.18/ 19, 0.15/ 20, 0.11/ 21, 0.12/ 22, 0.09/ &
23, 0.08/ 24, 0.57
UNIT OPERATIONS
UPST UID=REFP_5800
FEED FEED
OPER DROP,DP=400,PEND=500, REFP=5800
DROP 5300, 0.1/ 4900, 3.8/ 4500, 5.8/ 4100, 6.9/ &
3700, 8.5/ 3300, 9.2/ 2900, 9.5/ 2500, 9.8/ &
2100, 9.7/ 1700, 9.6/ 1300, 9.4/ 900, 8.7
END

Liquid Dropout Output

The following report listing shows the results of the liquid dropout
calculation.
Upstream Unit Summary
Unit 1, 'REFP_5800'
DROPOUT CALCULATION
Feeds FEED
Dropout(Cal.) Dropout(Exp.)
Pressure 100 * Liq Vol 100 * Liq Vol
Point PSIA / Ref Vol / Ref Vol
----- ----------- ------------- -------------
1 500.0000 7.846508 -Missing-
2 900.0000 8.833914 8.700000
3 1300.0000 9.427558 9.400000
4 1700.0000 9.791493 9.600000
5 2100.0000 9.978125 9.700000
6 2500.0000 10.00383 9.800000
7 2900.0000 9.794900 9.500000
8 3300.0000 8.962030 9.200000
9 3700.0000 7.981347 8.500000
10 4100.0000 6.781447 6.900000
11 4500.0000 5.236407 5.800000
12 4900.0000 3.113861 3.800000
13 5300.0000 0.000000 0.1000000
14 5700.0000 0.000000 -Missing-
15 5800.0000 0.000000 -Missing-
**********************************************************
Zero DROPOUT values may occur if the DEW POINT PRESSURE is
EXCEEDED.
Retrograde condensation may produce a second DEW POINT.
**********************************************************
Dew Point Pressure, PSIA 5289.8731
Reference Pressure, PSIA 5800.0000
Reference Temperature, F 300.0200
Data Points 12
Absolute Error 1.399336
Relative Error 1.049594
Pressures above 5700 psia produce no liquid drop out as it is in the

dense phase, above the dew point pressure. The dropout reaches a
maximum at about 2500 psia and then decreases. The calculated
dropout values are in reasonable agreement with the experimental
results provided. The liquid dropout results also may be plotted
versus pressure, as shown below.
Unit 1, 'REFP_5800' (Continued)

LIQUID DROPOUT VERSUS PRESSURE
10.0 +----+----+----+---CCCCCCCCC--+----+----+----+----+----+----+
| | CCCC |E E CC| | | |
| | *C E | ECC | | |
| |CC | | CE | | |
9.0 + C | | C | | +
| *| | | C | | |
| C | | | C E | | |
| C | | | C | | |
8.0 +-----C---+---------+---------+------C--+---------+---------+
| C | | | C | | |
| | | | C| | |
| | | | C| | |
7.0 + | | | CE | +
| | | | |C | |
| | | | | C | |
| | | | | C | |
6.0 +---------+---------+---------+---------+--C------+---------+
D | | | | | CE | |
R | | | | | C | |
O | | | | | C | |
P 5.0 + | | | | C | +
O | | | | | C | |
U | | | | | C | |
T | | | | | C | |
4.0 +---------+---------+---------+---------+------C--+---------+
| | | | | CE| |
| | | | | C | |
| | | | | C| |
3.0 + | | | | C| +
| | | | | C |
| | | | | C |
| | | | | |C |
2.0 +---------+---------+---------+---------+---------+-C-------+
| | | | | | C |
| | | | | | C |
| | | | | | C |
1.0 + | | | | | C +
| | | | | | C |
| | | | | | C |
| | | | | | C |
0.0 +----+----+----+----+----+----+----+----+----+----+--E-+-CC-+
0. 1000. 2000. 3000. 4000. 5000. 6000.
PRESSURE (PSIA)
KEY... C - CALCULATED E - EXPERIMENTAL

Upstream Relative Volume Calculations

This example demonstrates validating some relative volume data
for a gas condensate stream. The relative volume is the hot flowing
volume at temperature and pressure divided by the hot flowing
volume at reference pressure.
The relative volume data to be validated is as follows:
Table S1-5: Relative Volume Data
Pressure Relative Volume
psia vol/vol
1200 1.49
1300 1.32
1600 1.25
1800 1.0
2000 0.905
Reference Temperature, F 250
Reference Pressure , psia 1800
The feed stream has the composition shown in Table S1-6:

Comp Flow Comp Flow
Component kg moles/hr Component kg moles/hr
1 N2 25 6 iC4 3
2 CO2 3 7 nC4 5
3 C1 4 8 iC5 5
4 C2 6 9 nC5 30
5 C3 4

Relative Volume Keyword Input File

TITLE PROJECT=UPSTREAM, PROBLEM=U3-RVOL, USER=SIMSCI
DESC Validate Relative Volume using Upstream unit
PRINT INPUT=NONE
DIMENSION ENGLISH, XDENSITY=SPGR
COMPONENT DATA
LIBID 1,N2 / 2,CO2/ 3,C1 / 4,C2 / 5,C3 / &
6,IC4/ 7,NC4/ 8,IC5/ 9,NC5/10,NC6, &
ASSAY CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=PR, SET=1
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=752, &
PRESSURE=4351.1, PHASE=M, &
COMPOSITION=1,35/ 2,3/ 3,4/ 4, 6/ 5,4/ &
6, 3/ 7,5/ 8,5/ 9,30/ 10,5
UNIT OPERATIONS
UPST UID=EXP_DATA
FEED FEED
OPER REFT=250, REFP=1800, RELV, &
PSTART=1000, PEND=3000, POINTS=11
RELVOL 1200 1.49/ 1300, 1.32/ 1600, 1.25/ &
1800,1.0 / 2000,0.905
END

Relative Volume Output

The following is the output of for the relative volume text file
report. A lopt of the results appears on the following page.

Unit 1, 'EXP_DATA'
RELATIVE VOLUME CALCULATION
Feeds FEED

Reference Volume, FT3/HR 261.0797
Point Pressure Rel. Vol. Rel. Vol.

PSIA (Calc) (Exp)
----- -------- ------------- -------------
1 1000.0000 1.788411 -Missing-
2 1200.0000 1.472383 1.490000
3 1300.0000 1.357191 1.320000
4 1400.0000 1.261334 -Missing-
5 1600.0000 1.111400 1.250000
6 1800.0000 0.9999986 1.000000
7 2000.0000 0.9143632 0.9050000
8 2200.0000 0.8467553 -Missing-
9 2400.0000 0.7922303 -Missing-
10 2600.0000 0.7508945 -Missing-
11 2800.0000 0.7269997 -Missing-
12 3000.0000 0.7066924 -Missing-
DATA POINTS 5
ABSOLUTE ERROR 0.2099108E-01
RELATIVE ERORR 0.1333499E-01


Unit 1, 'EXP_DATA' (Continued)
RELATIVE VOLUME VERSUS PRESSURE
1.8 C-----+-----+-----+-----+-----+-----+-----+-----+-----+-----+
|C | | | | |
|C | | | | |
1.7 + C | | | | +
| C | | | | |
| C | | | | |
1.6 +---C-------+-----------+-----------+-----------+-----------+
| C | | | | |
| C | | | | |
1.5 + CE | | | | +
| C | | | | |
R | C | | | | |
E 1.4 +-------C---+-----------+-----------+-----------+-----------+
L | C | | | | |
A | EC | | | | |
T 1.3 + C| | | | +
I | C | | | |
V | |C E | | | |
E 1.2 +-----------+-CC--------+-----------+-----------+-----------+
| | C | | | |
V | | C | | | |
O 1.1 + | CC | | | +
L | | CC | | | |
U | | CC| | | |
M 1.0 +-----------+-----------*C----------+-----------+-----------+
E | | | CC | | |
| | | CC | | |
0.9 + | | *C | | +
| | | CCC | | |
| | | CCCCC | |
0.8 +-----------+-----------+-----------+---CCCCCC--+-----------+
| | | | CCCCCC |
| | | | | CCCCCC |
0.7 + | | | | CCC
| | | | | |
| | | | | |
0.6 +-----+-----+-----+-----+-----+-----+-----+-----+-----+-----+
1000. 1400. 1800. 2200. 2600. 3000.
PRESSURE (PSIA)
KEY... C - CALCULATED E - EXPERIMENTAL
The results are in reasonable agreement with the supplied data,
although point #5 probably bares closer scrutiny.

Constant Volume Depletion

Calculate the constant volume depletion curve for a gas condensate
stream in the liquid dropout example, starting at 5000 psia and 212
F.
Constant Volume Depletion Keyword Input File

TITLE PROJECT=AppBriefs, PROBLEM=ApBrS1-CVD, USER=SIMSCI
DESC Demonstrate Constant Volume Depletion
DESC using Upstream unit
DESC
PRINT INPUT=NONE
DIMENSION ENGLISH, LIQVOL=BBL, LDENSITY=LB/FT3, VDENSITY=LB/
FT3, &
SPVOL=FT3/LB-MOL, SPVVOL=FT3/LB-MOL, DUTY=BTU/HR, &
PBASIS=14.696
COMPONENT DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5/ &
10,NC6, BANK=SIMSCI,PROCESS
PETRO 11,C07,96,56.4149
PETRO 12,C08,106,54.4395
PETRO 13,C09,118,50.1431
PETRO 14,C10,132,48.2967
PETRO 15,C11,149,48.0685
PETRO 16,C12,163,45.5964
PETRO 17,C13,175,41.0611
PETRO 18,C14,194,38.7767
PETRO 19,C15,203,38.3679
PETRO 20,C16,217,37.3544
PETRO 21,C17,235,37.7583
PETRO 22,C18,247,36.5522
PETRO 23,C19,255,34.5798
PETRO 24,C20+,396,31.7065
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=1, DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=300.02, PRESSURE=7600,
PHASE=M, &
COMPOSITION(M,KGM/H)=1,0.39/2,3.47/3,80.17/4,6.28/
5,2.75/ &
6,0.43/7,0.88/8,0.31/9,0.35/10,0.54/11,0.72/12,0.88/
13,0.55/ &
14,0.33/15,0.24/16,0.2/17,0.21/18,0.18/19,0.15/
20,0.11/ &
21,0.12/22,0.09/23,0.08/24,0.57

UNIT OPERATIONS
UPSTREAM UID=CVD
FEED FEED
OPERATION CVD, REFT=212, REFP=5000, PEND=100, DP=200
END
Constant Volume Depletion Output

The output listing (below) shows the gas in standard volume units
that is purged from the stream at each pressure increment. Thus, at
constant actual stream volume of 292.2 ft3/hr, 2159.1 scf/hr of gas
is removed when the stream is depressured from 5000 psia to 4800
psia at constant temperature of 212 F. Additionally, the report may
include several plots.
Examples of two of the plots appear at the end of the listing.

Unit 1, 'CVD'
Constant Volume Depletion Calculation
Feeds FEED

Reference Volume, FT3/HR 299.2663
Point Pressure Gas Volume Cum. Gas Vol Gas MW Liquid Volume
PSIA FT3/HR FT3/HR BBL/HR
----- ----------- ----------- ------------ ---------- -------------
1 5000.0000 0.00000 0.00000 25.2037 2.64343
2 4800.0000 2159.10 2159.10 24.6143 3.48373
3 4600.0000 2466.39 4625.49 24.1221 4.15292
4 4400.0000 2667.82 7293.31 23.7011 4.70175
5 4200.0000 2816.92 10110.2 23.3341 5.16194
6 4000.0000 2938.99 13049.2 23.0089 5.55455
7 3800.0000 3046.29 16095.5 22.7169 5.89411
8 3600.0000 3145.13 19240.6 22.4520 6.19053
9 3400.0000 3237.64 22478.3 22.2098 6.45101
10 3200.0000 3324.34 25802.6 21.9876 6.68068
11 3000.0000 3222.50 29025.1 21.7835 6.70724
12 2800.0000 3306.54 32331.7 21.5966 6.69897
13 2600.0000 3387.24 35718.9 21.4264 6.66193
14 2400.0000 3459.14 39178.1 21.2733 6.59897
15 2200.0000 3519.97 42698.0 21.1378 6.51282
16 2000.0000 3567.69 46265.7 21.0211 6.40615
17 1800.0000 3600.62 49866.3 20.9253 6.28159
18 1600.0000 3617.59 53483.9 20.8529 6.14172
19 1400.0000 3618.02 57101.9 20.8084 5.98893
20 1200.0000 3602.01 60703.9 20.7985 5.82529
21 1000.0000 3570.43 64274.4 20.8351 5.65232
22 800.0000 3525.03 67799.4 20.9409 5.47050
23 600.0000 3468.92 71268.3 21.1649 5.27823
24 400.0000 3408.52 74676.8 21.6404 5.06843
25 200.0000 3366.54 78043.4 22.9312 4.81044
26 100.0000 1687.92 79731.3 25.1835 4.63761


Unit 1, 'CVD' (Continued)
INCREMENTAL GAS VOLUME VERSUS PRESSURE
3600. +----+----+CCCCCCCCC+----+----+----+----+----+----+
| CCC CC | | |
| C | | CC | | |
| CC | | CC | | |
3400. + CC | | C | | +
I | C | | C | | |
N | C | | C | CC | |
C | C | | C|C C | |
R 3200. +-C-------+---------+---------C----C----+---------+
E | C | | | C | |
M | C | | | C | |
E | C | | | C | |
N 3000. + C | | | C| +
T | C | | | C |
A | C | | | |C |
L | C | | | |C |
2800. +-C-------+---------+---------+---------+-C-------+
G | C | | | | C |
A | C | | | | C |
S | C | | | | C |
2600. + C | | | | C +
V | C | | | | C |
O |C | | | | C |
L |C | | | | C |
U 2400. +C--------+---------+---------+---------+-----C---+
M |C | | | | C |
E |C | | | | C |
|C | | | | C |
( 2200. +C | | | | C +
F |C | | | | C |
T |C | | | | |
3 |C | | | | |
/ 2000. +C--------+---------+---------+---------+---------+
H |C | | | | |
R |C | | | | |
) |C | | | | |
1800. +C | | | | +
|C | | | | |
|C | | | | |
| | | | | |
1600. +----+----+----+----+----+----+----+----+----+----+
0. 1000. 2000. 3000. 4000. 5000.
PRESSURE (PSIA)


Unit 1, 'CVD' (Continued)
CUMULATIVE GAS VOLUME VERSUS PRESSURE
80.0 +C---+----+----+----+----+----+----+----+----+----+
C | C | | | | |
U | C | | | | |
M | CC | | | | |
U | C | | | | |
L 70.0 +------C--+---------+---------+---------+---------+
A | C | | | | |
T | C| | | | |
I | C | | | |
V | |C | | | |
E 60.0 +---------+-CC------+---------+---------+---------+
| | C | | | |
G | | C | | | |
A | | C | | | |
S | | C | | | |
50.0 +---------+-------C-+---------+---------+---------+
V | | C| | | |
O | | C | | |
L | | |C | | |
U | | | CC | | |
M 40.0 +---------+---------+---C-----+---------+---------+
E | | | C | | |
| | | C | | |
( | | | C | | |
F | | | CC| | |
T 30.0 +---------+---------+---------C---------+---------+
3 | | | |C | |
/ | | | | C | |
H | | | | C | |
R | | | | CC | |
) 20.0 +---------+---------+---------+-----C---+---------+
| | | | C | |
| | | | CC| |
( | | | | C |
1 | | | | |C |
0 10.0 +---------+---------+---------+---------+-CC------+
* | | | | | C |
* | | | | | C |
3 | | | | | CC |
) | | | | | CC|
0.0 +----+----+----+----+----+----+----+----+----+----C
0. 1000. 2000. 3000. 4000. 5000.
PRESSURE (PSIA)


Section 8: Bio Process

B1_Biodiesel_Process
A sustainable energy policy requires the production of our basic
energy needs from renewable sources. Liquid transportation fuels
are a large part of these energy needs that are primarily derived
from fossil resources. Production of liquid transportation fuels
from renewable resources will extend the life of our fossil reserves
and minimize the environmental impact of using these fuels by
withdrawing carbon from the biosphere as energy crops are grown.
This will closely balance the carbon equation with the environment
as these new energy sources are used.
Biodiesel from various seed oils is an important part of a
sustainable energy program. Simulation tools can be used for
process design, economic analysis, energy integration, and
production optimization. This application brief provides an
example of the techniques used to model a typical biodiesel
process.
Overview
Biodiesel can be produced from various seed oils, such as: corn oil,
palm oil, and soybean oil. The main technologies for these
processes include: dewatering, free fatty acid esterification,
triglyceride esterification, methanol recovery, and glycol recovery.
The U.S. Department of Energy National Renewable Energy
Laboratory provides process and production technology support to
the private sector to create the needed biodiesel infrastructure. This
biodiesel application is based on the process as described in NREL
report # SR-510-36244.
Chemistry Involved
Natural seed oils are a mixture of various proportions of fatty acids
on a glycerol backbone, known generically as a triglyceride. The
basic reaction required to produce biodiesel is to substitute a methyl
group from methanol in place of the glycerol backbone, creating
methyl esters of the fatty acids. A molecule of glycerol is produced
for each triglyceride molecule converted to fatty acid methyl esters
(FAME) or biodiesel. The general reaction is summarized as:
B1_Biodiesel_Process BioProcess 8-339

Figure B1-1: General Esterification Reaction
Courtesy DOE NREL Biodiesel Production Technology

Report_36244.pdf
This reaction takes place in the presence of a catalyst and excess
methanol to drive the reaction quickly to the methyl esters and
improve yields.
Process Description
There are many process technology options for production of
biodiesel based on different feed stocks and qualities, desired
production capacity, and differing catalyst and alcohol recovery
options. All of these process options share a general set of
capabilities that must be modeled. Here is an example process
flowsheet for a continuous biodiesel operation:
8-340 BioProcess B1_Biodiesel_Process

Figure B1-2: General Biodiesel Process Flowsheet
Courtesy GroDiesel LTD: http://www.grodiesel.com/

flowdiagramnon-gd
The base capabilities that we will model in this example are:
Free fatty acid esterification using an acid catalyst
Low pressure flash dewatering
Triglyceride esterification integrating laboratory kinetics
Biodiesel refining, including:
Low pressure and molecular sieve methanol recovery
Glycerol recovery using phase separation
The process flowsheet for the simulated biodiesel process is
segmented into the different process areas as listed above:

Figure B1-3: Biodiesel Simulation Process Flowsheet
Raw Material Characterization

Oils and fats can be characterized based on the fatty acids contained
in the triglycerides. Oil assays fall in typical composition range
based on growing conditions and locations. The different oils can
be represented by their constituent triglycerides, allowing the same
simulation to easily test a variety of potential feed stocks.
Examples for fatty acid compositions in widely used oils are:

Figure B1-4: Composition of Various Oils and Fats
Courtesy DOE NREL Biodiesel Production Technology

Report_36244.pdf
The example contains a SIM4ME Portal Case study
(OilSeedAnalysis.xls) with the composition of several commonly
used oils for biodiesel processing.

Figure B1-5: Common Oil Compositions
The oil compositions are matched on a fatty acid content basis on

the "OilAssays" sheet as shown here:

Figure B1-6: Fatty Acid compositions of common Oils
The SIM4ME Portal Case study tool runs each oil configured in
the designed process, and extracts the needed information to allow
operational comparisons, and economic evaluations of various feed
stocks available for the biodiesel process.

Figure B1-7: Process results from running the case study
Process Simulation Details

Computer simulation is an essential tool in the design and economic
analysis of new biodiesel technologies and processes. In this
application brief, we are showing modeling techniques that will
allow you to quickly and efficiently model biodiesel processes.
These same techniques can be used for other alternative energy
processes as well.
Free Fatty Acid Esterification

The free fatty acid content of natural seed oils varies greatly. When
used in food, free fatty acids cause the oil to spoil prematurely and
create unpleasant tastes. Commodities market price of oils with
high free fatty acid content are lower than low free fatty acid oils.
Biodiesel processes can take advantage of this price difference by
esterifying the free fatty acids directly to fatty acid methyl esters
(FAME) using acid catalysts.
Caustic catalysts can not be used in this case since they will cause
saponification of the free fatty acids and loss of some triglycerides
as well. In addition, use of caustic catalysts will require a
separation process using a centrifuge to remove the soap before the

final esterification of the triglycerides. This process is known as
caustic stripping and lowers FAME yields from high free fatty acid
oils.
Acid catalysts have their challenges as well. This process requires
water removal during the reaction to prevent premature quench and
a high alcohol to fatty acid ratio to drive the reaction to completion.
The advantage of using acid catalysts is that it directly converts the
free fatty acid into FAME, the biodiesel product, and eliminates the
yield loss caused by caustic stripping. Here is the process
flowsheet:
Figure B1-8: Free Fatty Acid Esterification Process
Calculator units are used to automatically adjust the methanol, acid,

and caustic feeds to the correct ratio based on the input flowrate and
composition of the oil being processed. In this example, only
Stearic Acid is used to model the free fatty acid in the oil. The free
fatty acid flow(s) are set in parameters, as well as the composition
of methanol in the methanol feed. The methanol flow rate is
calculated as 20 times the molar flow rate of all free fatty acids.
This high ratio of methanol dilutes the water generated during the
reaction, and prevents premature quench. The acid catalyst is set to
0.01 times the free fatty acid flow in the same manner. Following
are the calculator configurations:

Figure B1-9: Feed Ratio Calculators
The esterification reaction takes place in the conversion reactor.

The reaction is defined in the flowsheet level reaction database.
This allows the defined reactions to be used in any reactors on the
flowsheet:

Figure B1-10: Free Fatty Acid Esterification Reaction Definition
The esterification reaction is relatively fast and proceeds to

completion with the acid catalyst. This can be easily modeled using
a conversion reactor with the total conversion of free fatty acid set
to conversion faction of 1:
Figure B1-11: FFA_Reactor Configuration

All the fatty acid is converted to FAME or biodiesel and will be
included in the overall process yield.
After esterification of the free fatty acid, the acid catalyst is
neutralized at a 1:1 mole ratio with caustic using a conversion
reactor in a similar configuration to the free fatty acid reactor. The
necessary caustic feed-flow rate is calculated with:
Figure B1-12: Neutralization Feed Ratio Calculator
Low Pressure Dewatering

There are many methods in practice to remove water and excess
methanol, including settling and centrifugation. This example
process uses a flash tank at low pressure for the water/methanol
removal. The following is the process flowsheet:

Figure B1-13: Low Pressure Dewatering Process
This process can be more efficient in large plants due to the time
required for settling and the inherent batch processing required by
typical centrifuge operations. Low pressure flashing is a quick, and
continuous dewatering operation that will integrate better with large
continuous biodiesel operations. The flash conditions modeled are:
Figure B1-14: Dewatering Process Vacuum Flash Tank Configuration
The simulation provides these results for the flash operation. The
composition and flow of the WATER2 stream can then be used to
design and size methanol recovery and recycle operations.

Figure B1-15: Dewatering Process Results
Triglyceride Esterification
The dewatered oil stream continues to the triglyceride esterification
process. The excess methanol ratio is corrected to 6:1 mole ratio to
the triglyceride flow. The caustic catalyst, NaOH, is again set to a
0.01 mole ratio using the same calculator process as in the free fatty
acid esterification process. The esterification reaction is relatively
fast and the reaction rate is controlled primarily by mass transport
phenomena in the reactor section.

Figure B1-16: Triglyceride Esterification Process
The triglyceride reactor is modeled as a continuous stirred tank

reactor, and includes custom reaction conversion rates based
laboratory data to model mass transport in the reactor. The custom
Excel Unit Operation reactor uses a table of test data to convert the
reactor residence time to the overall reactor conversion, as seen
here:

Figure B1-17: Mass Transport Reaction Kinetics
Reactions are defined on the "ReactionData" sheet. Enter the

stoichometry of each reaction by entering a negative number of
moles for reactants and a positive number of moles for products of
the reaction. The conversion value calculated from Figure 3-17 is
integrated to the reaction database by linking it to the conversion
percentages in row 11 of the "ReactionData" sheet. An example
Excel reactor and configuration instructions are available in the
PRO/II application library.

Figure B1-18: Excel UOP Reaction Configuration
During execution of the simulation, PRO/II passes the stream data

to this Excel workbook. The reactions are executed by Visual Basic
in left to right order as configured, and the product streams return to
PRO/II on the interface sheet named "P2Data". The steam is
"flashed" to calculate its thermodynamic condition, and the solve
sequence continues.
Biodiesel Refining
Standard unit operations model the downstream separation
processes to refine the FAME produced into saleable fuel grade
material. A low pressure flash tank is used to produce an improved
methanol stream for recycle to the process inlet.
Separating glycol from FAME is another key process. The
efficiency of this operation can impact the quality of the FAME as
biodiesel and the value of the glycol by-product stream, which can
be an important component to the overall economics. This process
is modeled as an ideal phase separation in a flash tank using the
SRKM thermodynamics package, a SimSci customized version of
standard SRK. Tests with pilot plant data show that this method
matches the actual phase separation performance very well and can
be used as a predictive tool for this unit operation in a continuous
biodiesel operation.

Figure B1-19: Biodiesel Refining Process
The polishing process for final methanol removal is a molecular

sieve tower. Note that the alcohol removal from the sieve tower is
during the regeneration process, and is a batch operation. The
stream calculator UOP is a good approximation of this process in a
steady state simulator, and provides the data on methanol load
required to size the actual equipment. Following is a table of the
refining process results:
Figure B1-20: Refining Process Stream Compositions
Energy integration operations are modeled quite easily with the

simple heat exchanger unit operation by connecting process streams
to both the hot and cold sides. Calculated duties can also be linked
between heat exchangers where it is impractical to show the process
streams connected to the same heat exchanger.

Economic Analysis
Once the process is modeled, it is very easy to use the SIM4ME
Portal to do economic and operational analysis using the PRO/II
simulation to generate the key process parameters, such as the
flows, duties, and equipment requirements. Enter the operational
costs for materials, utilities, and manpower as shown in the
simplified following example, and it becomes an easy task to
compare different feedstocks and operational methods.
Figure B1-21: Venture Guidance Analysis using SIM4ME Portal

Solution Benefits
This example provides a beginning point for anyone interested in
exploring the design and operation of a biodiesel facility. As the
process design is developed, additional details can be added to this
model to provide information for equipment sizing, project costing,
and full economic analysis of the biodiesel process. The techniques
provided in this example give the user all the base capability needed
to complete this work in an efficient and effective manner.
Resources and Acknowledgements:

National Biodiesel Board http://www.biodiesel.org/
U.S. Department of Energy
Van Gerpen, Shanks, and Pruszko; Clements; Knothe. Biodie-
sel Production Technology, August 2002-January 2004.
National Renewable Energy Laboratory report # NREL/SR-
510-36244.
Wright, Boundy, Clinton, Perlack, Davis, and Saulsbury. BIO-
MASS ENERGY DATA BOOK:EDITION 1, September 2006.
U.S. DEPARTMENT OF ENERGY, Oak Ridge National Labo-
ratory report # ORNL/TM-2006/571
GroDiesel LTD http://www.grodiesel.com

B2_Bioethanol_Process
Problem Description
The U.S. Department of Energy (DOE) is promoting the
development of ethanol from biomass feedstocks as an alternative
to conventional petroleum-based transportation fuels. The National
Renewable Energy Laboratory (NREL) has modeled many
potential process designs and estimated the economics of each
process. Several technology demonstration plants have been built
and operated to verify technical feasibility and economic viability
of the technology in the current energy market. Ethanol is an
important additive to oxygenate gasoline which increases the octane
rating in light of the recent ban on the MTBE additive.
Ethanol can be produced from various bio-mass sources, such as:
corn fiber, sugar cane bagasse, grain straws, wood, and paper
wastes. The main technologies for these processes include: thermo-
chemical pretreatment, enzymatic hydrolysis, and fermentation via
a variety of natural and recombinant microbes and distillation.
NREL provides funding and technology transfer packages to assist
the private sector in creating the needed biomass to ethanol
capability.
Computer simulation is an essential tool in the design and economic
analysis of new bio-ethanol technologies. This application brief
demonstrates the use of PRO/II in the simulation of a bio-ethanol
process based on the DOE Bio-ethanol Pilot Plant design.1 This
simulation includes material recycles and thermal integration, as
well as techniques to customize unit operations and integrate user
created models of the hydrolysis and fermentation processes.
B2_Bioethanol_Process BioProcess 9-359

Figure B2-1: Process Flow Diagram of the Process Development Unit
http://www.nrel.gov/docs/fy00osti/28397.pdf
Overview of Solution
PRO/II provides the tools and flexibility to model the bio-ethanol
process with high fidelity, integrate proprietary correlations and
reaction models. This simulation includes these processing steps:
Dilute acid hydrolysis of long chain carbohydrates to sugars
Fermentation of sugars to alcohols
Separate unit operations (UOPs) are used to provide several
examples of integrating custom reactions and kinetics
Recovery of alcohols via distillation and drying through
molecular sieves
The Excel UOP provides the customization platform for the xylose
fermentation. The conversion reactor is used for the hydrolysis
process and the conversion reactor and a calculator UOP provides
the customization for glucose fermentation.
Figure B2-2: Biomass to Ethanol Process
9-360 BioProcess B2_Bioethanol_Process

Implementation Details
Hydrolysis Processes
There are several technologies for hydrolysis, but all convert the
long chain carbohydrates (cellulose and hemicellulose) to sugars
and soluble oligomers for microbial digestion. This simulation
simplifies the hydrolysis reactions down to the two main sugars
produced: xylose (from hemicellulose), and glucose (from
cellulose). The dilute acid process is modeled by the addition of
dilute sulfuric acid to the biomass feed and heating the reaction
mass to 437 F (225 C), this drives the reaction and releases the
sugars.
Typically this phase uses multiple staged reactors to optimize the
production of sugars and minimize by-products. Additional heat
exchangers and reactors can be added to match process
requirements. The "strong acid" process can be modeled in this
same way, as can the much less energy intensive enzymatic
hydrolysis process.
The hydrolysis reaction is modeled by the conversion reactor.

Figure B2-3: Conversion Reactor
For this example reactions are simplified forms of actual

stoichiometries.
Figure B2-4: Unit Reaction Definitions

The consumption of biomass converted to sugars is represented by
the first reaction. The acid neutralization process is also included as
reaction #2. Obviously H2SO4 does not turn into H2O in reality, but
this is simply a way to account for acid consumption during
hydrolysis.
Fermentation Processes
The xylose and glucose streams are split for demonstration
purposes. In many process, co-fermentation is done to consume
both sugars in the same process vessel. Typically different
microbes are used to digest each type of sugar, 5-carbon and 6-
carbon.
Glucose Fermentation
Glucose fermentation is carried out in a standard conversion reactor
unit operation. Its reactions are defined in the PRO/II reactions data
entry window (DEW):
The reaction set is referenced in the conversion reactor
configuration. This allows multiple UOPs on the same flowsheet to
use the same reaction set. This not only reduces data entry tasks,
but also ensures that a consistent set of reactions are used
throughout the flowsheet to prevent data entry errors.
Figure B2-5: Conversion Reactor Configuration

The Extent of Reactions DEW allows the reactions to be reorder
and the conversion rate is defined by an included quadratic equation
or by an external value via the "Define" feature. This configuration
uses both methods to illustrate the possible techniques.
Figure B2-6: Conversion Reactor-Extent of Reaction
The define feature allows simple equation to specify the conversion

rate for reactions in the conversion reactor UOP. The methanol
reaction in the conversion reactor is defined as the "R2" value in the
"RX_CONV" calculator UOP. The define DEW shows the name of
the variable as it is defined in the calculator UOP for clarity.
Figure B2-7: Definition
The calculator unit operation allows a custom equation to be

associated with the reaction conversion rate. In this example, the
conversion rate is varied based on the reactor inlet temperature.
The biological activity function is approximated by a linear

equation spanning the temperature range of 50 deg F to 180 deg F,
with peak activity at 115 deg F. This activity function is calculated
with a small FORTRAN program.
Figure B2-8: SIMSCI -Calculator
Xylose Fermentation
Xylose fermentation is modeled using customized kinetics in the
Excel UOP conversion reactor template. Its reactions are defined in
the Excel reactor model in the same way as the hydrolysis process.

Figure B2-9: Excel - Bio Fuels Fermenter
However, the conversion rates for the four reactions are calculated
based on inputs from the Excel UOP and a kinetics model in the
Excel workbook. The base reaction rates are specified in the
parameters section of the PRO/II Excel UOP. The ratios between
the different reactions are set and passed to Excel.
Figure B2-10: Ratios between the different reactions

Then, the actual conversion values are calculated based on the
fermenter inlet temperature. The rate of conversion is represented
by a normal distribution around the optimal temperature of 115 deg
F. Any appropriate correlation can be used that best fits your actual
process or lab data.
Figure B2-11: Fermentation Rate
Once the correlation is entered in Excel, the overall conversion rate

can be calculated.
Table B2-1: .Fermentation Rate Calculation
Fermentation Rate Calculation
Inlet Temp: 119.7 (deg F)
Curve X: 0.35923 (Sigma)
Curve Y: 0.3740 (Probability)
Actual Fermentation Rate: 2.083% (% Conversion / hr)
Total Fermentation 200,000 (lb-mol)
Capacity:
Inlet Flowrate: 69.8 (lb-mol/min)
Residence Time: 48 (hr)
Residence Time: 1.99 (days)
Overall Fermentation %: 99.5%
Each individual conversion rate is calculated from the overall

conversion rate based on the inlet temperature, and the base rates
for each reaction that was passed to Excel from the PRO/II Excel
UOP.

Figure B2-12: Excel Conversion Reactor Setup Data
Using this methodology, sophisticated kinetics and custom

correlations can be easily integrated into PRO/II to embed your
process knowledge into the simulation.
Separation Processes
Standard unit operations model the downstream separation
processes to refine the alcohols produced into saleable fuel grade
material. A low pressure flash tank is used to produce an improved
water stream for recycle to the process inlet, followed by a
distillation column to provide the bulk of the material separations.
Energy integration operations are modeled quite easily with the
simple heat exchanger unit operation by connecting process streams
to both the hot and cold sides. Calculated duties can also be linked
between heat exchangers where it is impractical to show the process
streams connected to the same heat exchanger.
The polishing process for final water removal is a molecular sieve
tower. Note that the water removal from the sieve tower is during
the regeneration process, and is a batch operation. The stream
calculator UOP is a good approximation of this process in a steady
state simulator, and provides the data on water load required to size
the actual equipment.

Solution Benefits
This example provides a beginning point for anyone interesting in
exploring the design and operation of a bio-ethanol facility. As the
process design is developed, additional details can be added to this
model to provide information for equipment sizing, project costing,
and full economic analysis of the bio-ethanol process. The
techniques provided in this example give the user all the base
capability needed to complete this work in an efficient and effective
manner.


Index
C F
Centrifuge 1-164 FEED 1-14
Column
Methanol dryer 1-87
Condensing Curve 2-141
L
conventional distillation 1-10
CRUDE HEATING CURVE 1-119 Liquid Fraction and Latent Heat Plot 1-127
Crude Heating Curve
API gravity 1-119
D2887 1-119
M
HCURVE 1-121
Lohrenz-Bray-Clark method 1-121 Melter 1-164
Spreadsheet Tools utilities 1-126 Methanol
CRUDE OIL DISTILLATION 3-1 Dryer column 1-87
Crystalization
Solid 1-161
Crystallizer 1-164
P
Performance Specifications 1-14
D PHASE ENVELOPE 1-1
condensation 1-7
DEETHANIZER 1-9 cricondenbar 1-1
Capital cost 1-9 cricondentherm 1-1
Gas Stream 1-10 Generate Reports 1-7
Lee-Kesler 1-10 Peng-Robinson 1-1
Phase Envelope 1-4
DEISOBUTANIZER REVAMP 2-144
Soave-Redlich-Kwong 1-2
alkylation unit 2-144
Rerun 2-144 Phase Envelope 1-7
DEISOBUTANIZER TOWER 2-129 Pressure and Enthalphy plot 1-127
Grayson-Streed method 2-130 propane recovery 1-14
Density Plot 1-128 PROVISION 1-6
Dryer Pumparounds 1-15
Methanol Dryer 1-87
S
E
SEPARATE 1-14
Envelope Separation
Phase See Phase Envelope 1-7 Methanol dryer column 1-87
Solid
Crystallization 1-161
Solubility
PRO/II Application Briefs Index-i

vant Hoff 1-163 V
T vant Hoff
Solubility 1-163
Viscosity Plot 1-128
TBP curve 3-2
TBPCUTS 1-121
thermosiphon reboiler 1-10 X
transport properties 1-10
Xylene
p-Xylene 1-161
Index-ii
Invensys Systems, Inc.
26561 Rancho Parkway South
Lake Forest, CA 92630
United States of America
http://iom.invensys.com
Global Customer Support

Inside U.S.: 1-866-746-6477
Outside U.S.: 1-508-549-2424 or contact your
local Invensys Representative.
Email: Invensys.iom.support@Schneider-electric.com
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PRO/II Application Briefs ToC - i

G6 - Three Stage Let-Down

G7 - Gas De-Hydration Using TEG

G8 - Gas Sweetening Using Amines

ToC - ii May 2014

G9 - Steam Power Generation Loop

R2A - DeIsoButanizer Revamp

PRO/II Application Briefs ToC - iii

R3S - Shortcut Crude Oil Distillation

R3R - Rigorous Crude Oil Distillation Revamp

R5 - FCC Main Fractionator

R6 - Sour Water Stripper

ToC - iv May 2014

R6A - Caustic Addition to R6

R7 - Naphtha Stream Stabilizer

R7A - Stabilizer Optimization

PRO/II Application Briefs ToC - v

ToC - vi May 2014

C3 - Water Removal from MEK-Toluene

PRO/II Application Briefs ToC - vii

C5 - Phenol Extraction Plant

C6- Decant Column

C7 - Shift and Methanator Reactors

C8 - Non-ideal Chemical Separation

A3 - HDS Reactor Section

A4 - Turbo-Expander Gas Plant Optimization

PRO/II Application Briefs ToC - ix

A7 - MTBE Synthesis-reactive Distillation

A8 - Air Separation Plant

ToC - x May 2014

Section 8: Bio Process

PRO/II Application Briefs ToC - xi

Figure 1-1: The applications presented in this document are only

Section 1: Gas Processing

Component mole % Component mole %

Methods and Data

G1 - Phase Envelope 1-1

Figure G1: Component Selection

Click Thermodynamics on the toolbar. Click Modify... to

1-2 Gas Processing G1 - Phase Envelope

G1 - Phase Envelope 1-3

The temperature and pressure of the stream must be entered, but

1-4 Gas Processing G1 - Phase Envelope

Keyword Input File

G1 - Phase Envelope 1-5

Figure G6: Phase Envelope Curve

1-6 Gas Processing G1 - Phase Envelope

PHASE ENVELOPE TABULAR OUTPUT

SET 1, STREAM '1'

TEMP PRES TEMP PRES

G1 - Phase Envelope 1-7

1-8 Gas Processing G1 - Phase Envelope

Figure G7: Deethanizer Column

There is a design trade-off between the capital and operating costs.

Table G2: Gas Stream Composition

Component mole % Component mole %

Table G3: Process Conditions

Stream Pressure (psig) Thermal Conditions

Methods and Data

1-10 Gas Processing G2 - DeEthanizer