Aspen University Package #1

• Aspen Plus
– steady state simulator
• Aspen Properties
– calculations of physical properties of pure component and mixture
• Aspen Dynamics
– dynamic simulation of chemical plant
• Aspen Custom Modeler
– allows create and run user model or customize built-in models
• Aspen Icarus Process Evaluator
– preparation of detailed designs, investment analysis and schedules
• Distil
– design of distillation systems
Simulators used in chemical industry

• Aspen Plus - Aspen Technology, Inc.

• HYSYS - Aspen Technology, Inc.
• PRO II - Invensys SimSci-Esscor
• ChemCAD - Chemstation, Inc.
 Some features of Aspen Plus
• Sensitivity analysis
• Design specification
• Optimization
• Electrolyte simulation
• Solids handling
• Property estimation
• Data regression
• Data fit
• User routines
• Equation oriented modeling
 Sensitivity analysis
How a process reacts to varying operational and design
variables ?

What efect does the reflux ratio have

on purity of methanol in distillate?
DIST

FEED COLUMN

63.2 wt% Water

36.8 wt% Methanol

BOTT
 Design specifications
Similar to a feedback controller. Allows to set the value
of a calculated flowsheet quantity to particular value.

Determine the reflux ratio to achive

a methanol purity of 99.95 wt%
DIST

FEED COLUMN

63.2 wt% Water

36.8 wt% Methanol

BOTT
 Optimization
Allows to maximize or minimize user-specified objective function
by manipulating decision variables (feed stream, block input or other
input variables).

RECYCLE PURGE

SPLITER

C2H4 + HCl → C2H5Cl

VAPOR
100 kmol/hr Gas-phase reaction over a cooper
50 mol% HCl chloride catalyst supported on silica
48 mol% C2H4 REACTOR
MIXER
2 mol% N2
R-FEED
FEED
COLUMN
R-PROD

Maximize the venture profits in the manufacture

PRODUCT
of ethyl chloride by adjusting the purge flow rate
 Electrolytes simulation
Allows model systems with strong electrolytes, weak electrolytes
and salt precipitation.

99.7 wt% H2O

Sour water stripper 0.1wt% NH3
VAPOR

0.1 wt% H2S

0.1 wt% CO2

Remove CO2, H2S, and SOUR-H2O

NH3 from sour water COLUMN

STEAM

BOTTOMS
 Solids handling
Allows to model processes involving solids.

Drying of SiO2 form water content of 0.5 wt% to 0.1 wt%

450 kg/hr SiO2 AIR-OUT

2.26 kg/hr H2O

WET
DRYER

AIR

DRY
 Property estimation
Allows to estimate parameters required by physical property models
for both databank and non-databank components. Estimations are
based on group-contribution method and corresponding-states
correlations (experimental data can be included too).
Thiazole S
HC CH Estimated:
N C Critical temperature
H
Critical pressure
Normal boiling point: 116.8 °C Ideal gas heat capacity coefficients
Vapor pressure correlation: Gibbs free energy of formation
Watson heat-of-vaporization coefficients
3281.0
ln p ioL = 16.445 − Critical volume
T + 216.255 Critical compressibility factor

[pi]=mmHg, [T]=°C, 69°C<T<118°C

 Data regression
Experimental property data are used to determine physical property
model parameters.

Temperature Dynamic Viscosity Find parameters of Andrade equation

[°C] [cP] for dynamic viscosity of CS2 at 1 atm.
-20 0.556
-10 0.488 Bi
0 0.433 lnη i = Ai + + Ci ln T
T
10 0.396
20 0.363
30 0.319
40 0.29
50 0.27
60 0.25
80 0.21
100 0.19
120 0.17
 Data fit

• determines coefficients for kinetics models from laboratory

kinetics data.
• matches an Aspen Plus simulation to plant data as the first
step in a simulation study. For example, given one or more
sets of distillation column feed and product measurements,
finds the column efficiency that best fits the measurements.
 User routines
Methods for creating your models:

• Fortran
• Excel
• COM Models (based on the CAPE-OPEN standard)
developed using the following languages:
– Visual Basic
– C++
– J++
• Aspen Custom Modeler
 Equation oriented modeling

Strategies for solving flowsheet simulations:

• Sequential Modular (standard approach)

– Blocks in the flowsheet are solved in sequence
– Recycles in flowsheet require iterative calculations
– Time-consuming for certain types of problems
• Equation Oriented
– All the model equations are solved together
– Faster solution, higher accuracy of results
 Building the process model
• Defining the flowsheet
• Specifying data to be reported
• Entering components
• Selecting thermodynamic methods
– collection of models and methods used to
calculate physical properties
• Entering stream data
• Entering unit operation block data
 Choosing a property method
Is there any polar
component in the system?

No Yes

Yes Are the operating

Use Equation
conditions near the critical
of State Model
region of the mixture?
No
Are there light gases or
supercritical components
in the system?
Yes No
Use activity
Use activity
coefficient model
coefficient model
with Henry’s Law
 Conventions
Stage # 1 Above-stage (default)

Stage #2 n-1
Tray # 1 Feed vapor
DIST liquid
n
FEED COLUMN

On-stage
BOTT
Last tray n-1
Feed
Last stage n
 Convention
Heat < 0

Unit
Operation

Heat > 0

The heat input to a block is positive, and heat removed

from block is negative.