CHEMICAL ENGINEERING COMPUTING 2

CHEMICAL ENGINEERING COMPUTING II

FINAL ASSIGNMENT
Design of an Acrylic Acid Production Process

STUDENTS: Baru Debtera

Marian Davies

Mentor: Prof. Stijn De Jonge

Date of submitted: 19/05/2016

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CHEMICAL ENGINEERING COMPUTING 2

Introduction
Acrylic acid (AA) is used as a precursor for a wide variety of chemicals in the polymers
and textile industries. There are several chemical pathways to produce AA, but the most
common one is via the partial oxidation of propylene. The usual mechanism for
producing AA utilizes a two-step process in which propylene is first oxidized to acrolein
and then further oxidized to AA. Each reaction step usually takes place over a separate
catalyst and at different operating conditions.

Process Description

Figure 1 is a preliminary process flow diagram (PFD) for the acrylic acid production
process. The raw materials are propylene and oxygen. Steam in added to provide
thermal ballast. The propylene feed may be assumed pure vapor at 446 kPa. The air
feed, which may be considered to contain only oxygen, nitrogen, and water is also at 446
kPa. The steam is saturated at 446 kPa. The feeds are mixed and sent to the reactor (R-
301) in which acrylic acid is formed. The reactions which occur are shown below. The
reactor effluent is sent to a separation unit (S-301), in which all light gases (oxygen,
nitrogen, carbon dioxide, and propylene) are separated as vapor in Stream 7. Stream 7 is
split into Streams 8 and 9. Stream 8 is a recycle stream containing propylene, oxygen,
nitrogen, and carbon dioxide. A pump is required in this stream which is not shown.
Stream 9 is incinerated. Stream 10, containing water and acrylic acid is sent to a
distillation column (T-301) to produce purified acrylic acid. The desired acrylic acid
production rate is 75,000 metric tons/yr.

Process Details
Feed Streams
Stream 1: propylene, pure vapor, 25°C and 446 kPa
Stream 2: air at 218°C and 446 kPa (it has been compressed from atmospheric pressure
causing the temperature increase). Water present in amount to saturate air at 25°C and
1 atmosphere.
Stream 3: low-pressure steam

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CHEMICAL ENGINEERING COMPUTING 2

Stream 4: feed mixture should have the following components: air (containing oxygen,
nitrogen, and water vapor) 55 mole % steam (added as steam) 40 mole% propylene 5
mole % you must determine the stream temperature
Effluent Streams
Stream 9: waste gas stream to incinerator, credit may be taken for LHV of fuel
Stream 11: waste water stream, must be contain less than 0.03wt% acrylic acid
Stream 12: acrylic acid product, 99.9 wt. % purity.

Equipment
Reactor (R-301):
The following reactions occur:
C3H6 + 1.5O2 C3H4O2 + H2O
C3H6 + 4.5O2 3CO2 + 3H2O

Selectivity’s and conversions at various temperatures are given in Table 1. These values
are for the reactor operating pressure of 446 kPa and are independent of the amount of
oxygen present, as long as propylene is the limiting reactant. Part of your assignment is
to determine the best exit reactor temperature.
Separator (S-301):

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CHEMICAL ENGINEERING COMPUTING 2
In this separator, all components other than acrylic acid and water exit in Stream 7. The
acrylic acid and water vapor are partitioned between Streams 7 and 10 according to the
property model you chose. Part of your task is to determine the optimum temperature
and pressure for this separator. The separator pressure must be below 446 kPa.

Distillation Column (T-301):

In this distillation column, the water and acrylic acid in Stream 10 are separated. The
column operates at vacuum conditions. Specifications are as follows. The column
pressure is determined by the boiling point of acrylic acid at its maximum allowable
temperature, 90°C. This is also the temperature of Stream 12. The temperature of Stream
11 is the boiling point of water at the pressure of the column. Energy requirements are described
with the heat exchange equipment below.
Heat Exchanger (E-301):
In this heat exchanger, you may assume that one-half of the flow of Stream 12,
containing pure acrylic acid, is vaporized from saturated liquid to saturated vapor at
90°C. The cost is for the amount of low-pressure steam needed to supply the necessary
heat.
Heat Exchanger (E-302):
In this heat exchanger, water is condensed from saturated vapor to saturated liquid at a
rate three times the flow of Stream 11.
Reaction Kinetics and Reactor Configuration
The reactions taking place are all irreversible. The reaction kinetics for the catalyst used
in this process are given below:
C3H6 + 1.5O2 C3H4O2 + H2O
C3H6 + 2.5O2 C2H4O2 + H2O + CO2
C3H6 + 4.5O2 3CO2 + 3H2O
−𝐸𝑖
-ri =Ko,iexp ( )Ppropylene Poxygen
𝑅𝑇
Partial pressures are in kPa and the activation energies and pre-exponential terms for
reactions 1-3 are given below:
I, Ei(kcal/kmol) Ko,i (Kmol/m3 reactor/hr/(Kpa))2
1. 15000 159000
2. 20000 883000
3. 25000 181000

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CHEMICAL ENGINEERING COMPUTING 2
The kinetics presented above are valid in the temperature range, 250 – 330ºC. Above
330ºC the catalyst starts to coke-up (carbon deposits on the surface of the catalysts
causing it to deactivate), and below 250ºC the rate of reaction drops off rapidly. Due to
these effects, the catalysts should never be operated outside of these temperature limits.
The reactor configuration used for this process should be a packed bed reactor.

Task
Design the described process according to the specification given in the process
description. During the simulation several assumptions or optimizations need to be
made. Report all those details in your final report. Besides those parameters, your report
also includes a clear material and energy balance. Comment on the efficiency of the
process and try to include at least one energy recuperation step (excluding the
described heat exchangers in the description). Including also a dimensional simulation
of at least one block (reactor or separator)

Design and simulations step by step

A. Thermodynamic property specifications
Start to properties specifications and method of thermodynamics; select (NRTL-RK)
under the property method. Nonrandom two liquid (NRTL) was recommended for
Acrylic acid production and separation processes. Table 1
METHODS OF PROPERTIES (NRTL_RK)
Component i WATER WATER
Component j ACRYL-01 CARBO-01
Temperature units K K
Source VLE-RK ENRTL-RK
Property units
AIJ 0 10,064
AJI 0 10,064
BIJ 924,2531 -3268,135
BJI -300,0066 -3268,135
CIJ 0,3 0,2
DIJ 0 0
EIJ 0 0
EJI 0 0
FIJ 0 0
FJI 0 0
TLOWER 373,55 273,15
TUPPER 393,65 473,15

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 CHEMICAL ENGINEERING COMPUTING 2

B. Materials and Energy balance around each Equipment

RECYCLE
TO-INCIN

AIR

B1 MIXER W-WATER1
B4
7
AIR1 RADFRAC1

F-MIXED SPLITER
PROPYL B7 TOP-FLS WW-TREAT
6
8 4

RSTOIC FLASH2 END-WW-T

B8 B2
STEAM 3 W-WATER
B5
2
1
PRO-R
BOT-FLAS
RADFRAC2
B3

ACRYL1 ACRY3-CO

ACRYL-AC
END-AA-M

Figure 1. Simulation of overall acrylic acid production from Propylene oxidation.

I. Material and energy balance around mixer

Table 2 is the summary of material and energy balance for Mixer, this Mixer is necessary
to get the same temperature of feed to send into Reactor.

Final assignment1
Stream ID 6 7 8 REC YCLE F-MIXED
From B7 B4 B8 SPLITER MIXER
To MIXER MIXER MIXER MIXER RST OIC
Phase VA POR VA POR LIQUID VA POR MIXED
Substream: MIXED
Mole Flow kmol/hr
PR OPY-01 207,6100 0,0 0,0 32,09622 239,7062
OXYGE-01 0,0 372,3100 0,0 168,1558 540,4658
NIT RO-01 0,0 1393,320 0,0 12521,85 13915,17
WAT ER 0,0 518,5000 1660,200 8378,525 10557,23
A CRYL-01 0,0 0,0 0,0 442,9088 442,9088
C ARB O-01 0,0 0,0 0,0 429,5990 429,5990
A CETI-01 0,0 0,0 0,0 23,10496 23,10496
Total Flow kmol/hr 207,6100 2284,130 1660,200 21996,24 26148,18
Total Flow kg/hr 8736,362 60286,14 29908,97 5,60665E+5 6,59597E+5
Total Flow l/min 18053,54 5,94593E+5 542,8371 4,52481E+6 1,23050E+7
Temperature K 298,1500 837,3992 373,1500 373,1500 350,2886
Pressure atm 4,401678 4,401678 1,000000 2,467308 1,000000
Vapor Frac 1,000000 1,000000 0,0 1,000000 ,9850477
Liquid Frac 0,0 0,0 1,000000 0,0 ,0149523
Solid Frac 0,0 0,0 0,0 0,0 0,0
Enthalpy cal/mol 4730,969 -9028,096 -66885,59 -24991,56 -26021,05
Enthalpy cal/gm 112,4263 -342,0578 -3712,715 -980,4789 -1031,544
Enthalpy cal/sec 2,72832E+5 -5,7282E+6 -3,0845E+7 -1,5270E+8 -1,8900E+8
Entropy cal/mol-K -37,13701 4,245299 -34,87058 -3,236758 -2,560534
Entropy cal/gm-K -,8825202 ,1608465 -1,935611 -,1269858 -,1015064
Density mol/cc 1,91661E-4 6,40251E-5 ,0509729 8,10208E-5 3,54166E-5
Density gm/cc 8,06524E-3 1,68984E-3 ,9182917 2,06515E-3 8,93396E-4
Average MW 42,08064 26,39348 18,01528 25,48914 25,22534
Liq Vol 60F l/min 279,7773 1732,036 499,4435 14805,74 17317,00

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CHEMICAL ENGINEERING COMPUTING 2
From the energy balance, around the mixer it is easy to determine the outlet
temperature. This temperature is 350.3k, feed temperature for Reactant to production
acrylic acid.
II. Material and Energy balance around Reactor
Table 3 is the summary of material and energy balance around the reactor. From the
table below we managed to determine the temperature outlet of 573.15k and
conversion of 75% propylene into Acrylic Acid.

Final assignment1
Stream ID F-MIXED PRO-R
From MIXER RSTOIC
To RSTOIC B5
Phase MIXED VAPOR
Substream: MIXED
Mole Flow kmol/hr
PRO PY-01 239, 7062 35, 95593
O XYGE-01 540, 4658 186, 8991
NITRO-01 13915, 17 13915, 17
W ATER 10557, 23 10784, 95
ACRYL-01 442, 9088 622, 6884
CARBO -01 429, 5990 477, 5403
ACETI-01 23, 10496 35, 09027
Total Flow kmol/hr 26148, 18 26058, 29
Total Flow kg/hr 6, 59597E+5 6, 59597E+5
Total Flow l/min 1, 23050E+7 4, 62848E+6
Temperature K 350, 2886 573, 1500
Pressure atm 1, 000000 4, 401678
Vapor Frac , 9850477 1, 000000
Liquid Frac , 0149523 0,0
Solid Frac 0,0 0,0
Enthalpy cal/mol -26021, 05 -25482, 18
Enthalpy cal/gm -1031, 544 -1006, 709
Enthalpy cal/sec -1,8900E+ 8 -1,8445E+ 8
Entropy cal/mol-K -2, 560534 -1, 353291
Entropy cal/gm-K -, 1015064 -, 0534636
Density mol/cc 3, 54166E-5 9, 38332E-5
Density gm/cc 8, 93396E-4 2, 37514E-3
Average MW 25, 22534 25, 31235
Liq Vol 60F l/min 17317, 00 17056, 16

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CHEMICAL ENGINEERING COMPUTING 2

III. Material and Energy balance around flash separator

The table 4. Below shows the summary of material and energy balance around the flash
separator. In this unit operation only separate air, vapor water or steam and some
unreacted reactant, because flash separator is one stage distillation column.

Final assignment1
Stream ID 3 TOP-FLS BOT-FLAS
From B5 FLASH2 FLASH2
To FLASH2 SPLITER B3
Phase VAPOR VAPOR LIQ UID
Substream: MIXED
Mole Flow kmol/hr
PRO PY-01 35, 95593 35, 66280 , 2931302
O XYGE-01 186, 8991 186, 8415 , 0575795
NITRO-01 13915, 17 13913, 29 1, 871863

WATER 10784, 95 9309, 561 1475, 385

ACRYL-01 622, 6884 492, 1255 130, 5629
CARBO -01 477, 5403 477, 3368 , 2034911
ACETI-01 35, 09027 25, 67242 9, 417850
Total Flow kmol/hr 26058, 29 24440, 49 1617, 792
Total Flow kg/hr 6, 59597E+5 6, 22967E+5 36629, 45
Total Flow l/min 4, 62848E+6 5, 02762E+6 665, 1200
Temperature K 573, 1500 373, 1500 373, 1500
Pressure atm 4, 401678 2, 467308 2, 467308
Vapor Frac 1, 000000 1, 000000 0,0
Liquid Frac 0,0 0,0 1, 000000

Solid Frac 0,0 0,0 0,0

Enthalpy cal/mol -25482, 18 -24991, 56 -68519, 81
Enthalpy cal/gm -1006, 709 -980, 4789 -3026, 276
Enthalpy cal/sec -1,8445E+ 8 -1,6967E+ 8 -3,0792E+ 7
Entropy cal/mol-K -1, 353291 -3, 236758 -35, 70327
Entropy cal/gm-K -, 0534636 -, 1269858 -1, 576886
Density mol/cc 9, 38332E-5 8, 10208E-5 , 0405388
Density gm/cc 2, 37514E-3 2, 06515E-3 , 9178656
Average MW 25, 31235 25, 48914 22, 64163
Liq Vol 60F l/min 17056, 16 16450, 98 605, 1784

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CHEMICAL ENGINEERING COMPUTING 2

IV. Material and Energy balance around Splitter

The table 5 below shows the summary of material and energy balance around the
Splitter. In our process we take 90% to recycle and 10% to incinerator. The steam
recycle temperature are 100°C, this is best for energy saving.

Final assignment1
Stream ID TOP-FLS TO-INCIN RECYCLE
From FLASH2 SPLITER SPLITER
To SPLITER MIXER
Phase VAPOR VAPOR VAPOR

Substream: MIXED
Mole Flow kmol/hr
PRO PY-01 35, 66280 3, 566585 32, 09622
O XYGE-01 186, 8415 18, 68575 168, 1558
NITRO-01 13913, 29 1391, 448 12521, 85
W ATER 9309, 561 931, 0355 8378, 525

ACRYL-01 492, 1255 49, 21675 442, 9088

CARBO -01 477, 3368 47, 73775 429, 5990
ACETI-01 25, 67242 2, 567461 23, 10496
Total Flow kmol/hr 24440, 49 2444, 258 21996, 24
Total Flow kg/hr 6, 22967E+5 62302, 02 5, 60665E+5
Total Flow l/min 5, 02762E+6 5, 02805E+5 4, 52481E+6

Temperature K 373, 1500 373, 1500 373, 1500

Pressure atm 2, 467308 2, 467308 2, 467308
Vapor Frac 1, 000000 1, 000000 1, 000000
Liquid Frac 0,0 0,0 0,0
Solid Frac 0,0 0,0 0,0
Enthalpy cal/mol -24991, 56 -24991, 56 -24991, 56

Enthalpy cal/gm -980, 4789 -980, 4789 -980, 4789

Enthalpy cal/sec -1,6967E+ 8 -1,6968E+ 7 -1,5270E+ 8
Entropy cal/mol-K -3, 236758 -3, 236758 -3, 236758
Entropy cal/gm-K -, 1269858 -, 1269858 -, 1269858
Density mol/cc 8, 10208E-5 8, 10208E-5 8, 10208E-5
Density gm/cc 2, 06515E-3 2, 06515E-3 2, 06515E-3

Average MW 25, 48914 25, 48914 25, 48914

Liq Vol 60F l/min 16450, 98 1645, 238 14805, 74

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CHEMICAL ENGINEERING COMPUTING 2
V. Material and energy balance around RadFrac1 and RadFrac2. Distillation
The table 6 below shows the results of mass and energy balance from the two
distillation column.
Final assignment 1 Final assignment 1
St ream ID 4 ACRYL1 W -W ATER1 St ream ID 1 ACRYL-AC W -W ATER
From B2 RADFRAC1 RADFRAC1 From B2 RADFRAC2 RADFRAC2
To RADFRAC1 END-AA-M END-WW -T To RADFRAC2 END-AA-M END-WW -T
Phase MIXED LIQ UID LIQ UID Phase MIXED LIQ UID LIQ UID
Substream: MIXED Substream: MIXED
Mole Flow kmol/hr Mole Flow kmol/hr
PRO PY-01 , 1465651 1, 2965E-10 , 1465651 PRO PY-01 , 1465651 1, 3131E-10 , 1465651
O XYGE-01 , 0287897 2, 3249E-18 , 0287897 O XYGE-01 , 0287897 2, 3536E-18 , 0287897
NITRO-01 , 9359315 1, 3035E-18 , 9359315 NITRO-01 , 9359315 1, 3082E-18 , 9359315
W ATER 737, 6927 , 0591955 737, 6335 W ATER 737, 6927 , 0602611 737, 6324
ACRYL-01 65, 28146 65, 25587 , 0255849 ACRYL-01 65, 28146 65, 25343 , 0280298
CARBO -01 , 1017456 3, 2359E-13 , 1017456 CARBO -01 , 1017456 3, 2633E-13 , 1017456
ACETI-01 4, 708925 2, 801033 1, 907892 ACETI-01 4, 708925 2, 802412 1, 906513
Tot al Flow kmol/hr 808, 8961 68, 11610 740, 7800 Tot al Flow kmol/hr 808, 8961 68, 11610 740, 7800
Tot al Flow kg/hr 18314, 72 4871, 846 13442, 88 Tot al Flow kg/hr 18314, 72 4871, 772 13442, 95
Tot al Flow l/min 332, 5600 86, 69377 223, 5434 Tot al Flow l/min 332, 5600 86, 69214 225, 0607
Temperat ure K 373, 1500 391, 8355 288, 1407 Temperat ure K 373, 1500 391, 8328 295, 1500
Pressure at m 2, 467308 , 5000000 , 5000000 Pressure at m 2, 467308 , 5000000 , 5000000
Vapor Frac 2, 9913E-14 0,0 0,0 Vapor Frac 2, 9913E-14 0,0 0,0
Liquid Frac 1, 000000 1, 000000 1, 000000 Liquid Frac 1, 000000 1, 000000 1, 000000

Solid Frac 0,0 0,0 0,0 Solid Frac 0,0 0,0 0,0

Ent halpy cal/mol -68519, 81 -86263, 07 -68451, 16 Ent halpy cal/mol -68519, 81 -86263, 28 -68327, 72
Ent halpy cal/gm -3026, 276 -1206, 094 -3772, 053 Ent halpy cal/gm -3026, 276 -1206, 115 -3765, 230

Ent halpy cal/sec -1,5396E+ 7 -1,6322E+ 6 -1,4085E+ 7 Ent halpy cal/sec -1,5396E+ 7 -1,6322E+ 6 -1,4060E+ 7

Ent ropy cal/mol-K -35, 70327 -50, 30902 -39, 53173 Ent ropy cal/mol-K -35, 70327 -50, 30864 -39, 11145

Ent ropy cal/gm-K -1, 576886 -, 7033996 -2, 178426 Ent ropy cal/gm-K -1, 576886 -, 7034050 -2, 155254

Densit y mol/cc , 0405388 , 0130951 , 0552301 Densit y mol/cc , 0405388 , 0130954 , 0548578

Densit y gm/cc , 9178656 , 9366006 1, 002257 Densit y gm/cc , 9178656 , 9366039 , 9955057

Average MW 22, 64163 71, 52268 18, 14692 Average MW 22, 64163 71, 52159 18, 14702

Liq Vol 60F l/min 302, 5892 77, 67306 224, 9161 Liq Vol 60F l/min 302, 5892 77, 67189 224, 9173

The main product acrylic acid is desired to produce per year a given 75000 metric
tons/year; the simulation results gives 75200 metric tons/years from the following
reactant, propylene 70000 metric tons/year in addition with extra air and steam used as
reactant. The table below shows the end production of Acrylic Acid from the two
distillation column.
From table 7 results gives us 130.51Kmol/hr change into ton/year is equal
75200ton/year.

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 CHEMICAL ENGINEERING COMPUTING 2
Final assignment1
Stream ID ACRYL1 ACRYL-AC ACRY3-CO
From RADFRAC1 RADFRAC2 END-AA-M
To END-AA-M END-AA-M
Phase LIQ UID LIQ UID MIXED
Substream: MIXED
Mole Flow kmol/hr
PRO PY-01 1, 2965E-10 1, 3131E-10 2, 6096E-10

O XYGE-01 2, 3249E-18 2, 3536E-18 4, 6785E-18

NITRO-01 1, 3035E-18 1, 3082E-18 2, 6117E-18
WATER , 0591955 , 0602611 , 1194567
ACRYL-01 65, 25587 65, 25343 130, 5093
CARBO -01 3, 2359E-13 3, 2633E-13 6, 4992E-13
ACETI-01 2, 801033 2, 802412 5, 603445
Total Flow kmol/hr 68, 11610 68, 11610 136, 2322
Total Flow kg/hr 4871, 846 4871, 772 9743, 618
Total Flow l/min 86, 69377 86, 69214 173, 3859
Temperature K 391, 8355 391, 8328 391, 8341
Pressure atm , 5000000 , 5000000 , 4999951
Vapor Frac 0,0 0,0 9, 76199E-6
Liquid Frac 1, 000000 1, 000000 , 9999902

Solid Frac 0,0 0,0 0,0

Enthalpy cal/mol -86263, 07 -86263, 28 -86263, 18
Enthalpy cal/gm -1206, 094 -1206, 115 -1206, 105
Enthalpy cal/sec -1,6322E+ 6 -1,6322E+ 6 -3,2644E+ 6
Entropy cal/mol-K -50, 30902 -50, 30864 -50, 30867
Entropy cal/gm-K -, 7033996 -, 7034050 -, 7033999
Density mol/cc , 0130951 , 0130954 , 0130952
Density gm/cc , 9366006 , 9366039 , 9366022
Average MW 71, 52268 71, 52159 71, 52214
Liq Vol 60F l/min 77, 67306 77, 67189 155, 3450

RECYCLE
TO-INCIN

AIR

B1 MIXER W-WATER1
B4
7
AIR1 RADFRAC1

F-MIXED SPLITER
PROPYL B7 TOP-FLS WW-TREAT
6
8 4

RSTOIC FLASH2 END-WW-T

B8 B2
STEAM 3 W-WATER
B5
2
1
PRO-R
BOT-FLAS
RADFRAC2
B3

ACRYL1 ACRY3-CO

ACRYL-AC
END-AA-M

Figure 2. Simulation of overall acrylic acid production from Propylene oxidation.

The table below shows the summary of material and energy balance around the
RadFraac distillation.

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CHEMICAL ENGINEERING COMPUTING 2
VI. Condenser and Re-boiler specification required for one
distillation column.
Number of stage: 30
Feed stage: 27; because of we need pure acrylic acid at the bottom of distillation column.
CONDENSER OR TOP STAGES PERFORMANCE REBOILER OR BOTTOM STAGE PERFORMANCE
Name Value Units Name Value Units
Temperature 288.15 K Temperature 391.835 K
Subcooled temperature 295,15 K Heat duty 8800000 cal/sec
Heat duty -9143300 cal/sec Bottoms rate 68.1161 kmol/hr
Subcooled duty -1046976 cal/sec Boilup rate 4719.88 kmol/hr
Distillate rate 740.78 kmol/hr Boilup ratio 69.2917
Reflux rate 2222.34 kmol/hr
Reflux ratio 3

The table 8 below shows the summary of material and energy balance around the
overall equipment flow sheet.
F in a l a ssig n me n t 1

S t re a m I D 1 2 3 4 6 7 8 ACRY3 - CO ACRYL-AC ACRYL1 AI R AI R1 BO T- F LAS F - MI XE D P RO - R P RO P YL RE CYCLE S TE AM TO - I NCIN TO P - F LS W -W ATE R W -W ATE R1 W W- TRE AT

From B2 B3 B5 B2 B7 B4 B8 E ND- AA-M RADF RAC2 RADF RAC1 B1 F LAS H2 MI XE R RS TO I C S P LITE R S P LITE R F LAS H2 RADF RAC2 RADF RAC1 E ND- WW - T
To RADF RAC2 B2 F LAS H2 RADF RAC1 MI XE R MI XE R MI XE R E ND- AA-M E ND- AA-M B1 B4 B3 RS TO I C B5 B7 MI XE R B8 S P LITE R E ND- WW - T E ND- WW - T

P h a se MI XE D MI XE D VAP O R MI XE D VAP O R VAP O R LIQ UID MI XE D LIQ UID LIQ UID VAP O R VAP O R LIQ UID MI XE D VAP O R VAP O R VAP O R LIQ UID VAP O R VAP O R LIQ UID LIQ UID MI XE D
S u b str e a m: MI XE D
Mo l e F l o w kmo l/ h r

P RO P Y-0 1 , 1465651 , 2931302 35, 95593 , 1465651 207, 6100 0 ,0 0 ,0 2 , 6 0 9 6 E -1 0 1 , 3 1 3 1 E -1 0 1 , 2 9 6 5 E -1 0 0 ,0 0 ,0 , 2931302 239, 7062 35, 95593 207, 6100 32, 09622 0 ,0 3, 566585 35, 66280 , 1465651 , 1465651 , 2931302
O XYGE -0 1 , 0287897 , 0575795 186, 8991 , 0287897 0 ,0 372, 3100 0 ,0 4 , 6 7 8 5 E -1 8 2 , 3 5 3 6 E -1 8 2 , 3 2 4 9 E -1 8 372, 3100 372, 3100 , 0575795 540, 4658 186, 8991 0 ,0 168, 1558 0 ,0 18, 68575 186, 8415 , 0287897 , 0287897 , 0575795
NI TRO - 0 1 , 9359315 1, 871863 13915, 17 , 9359315 0 ,0 1393, 320 0 ,0 2 , 6 1 1 7 E -1 8 1 , 3 0 8 2 E -1 8 1 , 3 0 3 5 E -1 8 1393, 320 1393, 320 1, 871863 13915, 17 13915, 17 0 ,0 12521, 85 0 ,0 1391, 448 13913, 29 , 9359315 , 9359315 1, 871863
W ATE R 737, 6927 1475, 385 10784, 95 737, 6927 0 ,0 518, 5000 1660, 200 , 1194567 , 0602611 , 0591955 518, 5000 518, 5000 1475, 385 10557, 23 10784, 95 0 ,0 8378, 525 1660, 200 931, 0355 9309, 561 737, 6324 737, 6335 1475, 266

ACRYL- 0 1 65, 28146 130, 5629 622, 6884 65, 28146 0 ,0 0 ,0 0 ,0 130, 5093 65, 25343 65, 25587 0 ,0 0 ,0 130, 5629 442, 9088 622, 6884 0 ,0 442, 9088 0 ,0 49, 21675 492, 1255 , 0280298 , 0255849 , 0536146
CARBO -0 1 , 1017456 , 2034911 477, 5403 , 1017456 0 ,0 0 ,0 0 ,0 6 , 4 9 9 2 E -1 3 3 , 2 6 3 3 E -1 3 3 , 2 3 5 9 E -1 3 0 ,0 0 ,0 , 2034911 429, 5990 477, 5403 0 ,0 429, 5990 0 ,0 47, 73775 477, 3368 , 1017456 , 1017456 , 2034911
ACE TI - 0 1 4, 708925 9, 417850 35, 09027 4, 708925 0 ,0 0 ,0 0 ,0 5, 603445 2, 802412 2, 801033 0 ,0 0 ,0 9, 417850 23, 10496 35, 09027 0 ,0 23, 10496 0 ,0 2, 567461 25, 67242 1, 906513 1, 907892 3, 814407

To t a l F lo w kmo l/ h r 808, 8961 1617, 792 26058, 29 808, 8961 207, 6100 2284, 130 1660, 200 136, 2322 68, 11610 68, 11610 2284, 130 2284, 130 1617, 792 26148, 18 26058, 29 207, 6100 21996, 24 1660, 200 2444, 258 24440, 49 740, 7800 740, 7800 1481, 560
To t a l F lo w kg /h r 18314, 72 36629, 45 6, 59597E+5 18314, 72 8736, 362 60286, 14 29908, 97 9743, 618 4871, 772 4871, 846 60286, 14 60286, 14 36629, 45 6, 59597E+5 6, 59597E+5 8736, 362 5, 60665E+5 29908, 97 62302, 02 6, 22967E+5 13442, 95 13442, 88 26885, 83
To t a l F lo w l/ mi n 332, 5600 665, 1200 4, 62848E+6 332, 5600 18053, 54 5, 94593E+5 542, 8371 173, 3859 86, 69214 86, 69377 1, 53330E+6 5, 94593E+5 665, 1200 1, 23050E+7 4, 62848E+6 18053, 54 4, 52481E+6 542, 8371 5, 02805E+5 5, 02762E+6 225, 0607 223, 5434 573, 4031

Te mp e r a t u re K 373, 1500 373, 1500 573, 1500 373, 1500 298, 1500 837, 3992 373, 1500 391, 8341 391, 8328 391, 8355 491, 0000 837, 3992 373, 1500 350, 2886 573, 1500 298, 1500 373, 1500 373, 1500 373, 1500 373, 1500 295, 1500 288, 1407 291, 6353
P r e ssu r e atm 2, 467308 2, 467308 4, 401678 2, 467308 4, 401678 4, 401678 1, 000000 , 4999951 , 5000000 , 5000000 1, 000000 4, 401678 2, 467308 1, 000000 4, 401678 4, 401678 2, 467308 1, 000000 2, 467308 2, 467308 , 5000000 , 5000000 , 4999951
Va p o r F r a c 2 , 9 9 1 3 E -1 4 2 , 9 9 1 3 E -1 4 1, 000000 2 , 9 9 1 3 E -1 4 1, 000000 1, 000000 0 ,0 9 , 7 6 1 9 9 E -6 0 ,0 0 ,0 1, 000000 1, 000000 0 ,0 , 9850477 1, 000000 1, 000000 1, 000000 0 ,0 1, 000000 1, 000000 0 ,0 0 ,0 1 , 0 5 7 3 3 E -4
Liq u id F r a c 1, 000000 1, 000000 0 ,0 1, 000000 0 ,0 0 ,0 1, 000000 , 9999902 1, 000000 1, 000000 0 ,0 0 ,0 1, 000000 , 0149523 0 ,0 0 ,0 0 ,0 1, 000000 0 ,0 0 ,0 1, 000000 1, 000000 , 9998943

S o li d F r a c 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0 0 ,0
E n t h a lp y ca l/ mo l -6 8 5 1 9 , 8 1 -6 8 5 1 9 , 8 1 -2 5 4 8 2 , 1 8 -6 8 5 1 9 , 8 1 4730, 969 -9 0 2 8 , 0 9 6 -6 6 8 8 5 , 5 9 -8 6 2 6 3 , 1 8 -8 6 2 6 3 , 2 8 -8 6 2 6 3 , 0 7 -1 1 7 0 6 , 1 7 -9 0 2 8 , 0 9 6 -6 8 5 1 9 , 8 1 -2 6 0 2 1 , 0 5 -2 5 4 8 2 , 1 8 4730, 969 -2 4 9 9 1 , 5 6 -6 6 8 8 5 , 5 9 -2 4 9 9 1 , 5 6 -2 4 9 9 1 , 5 6 -6 8 3 2 7 , 7 2 -6 8 4 5 1 , 1 6 -6 8 3 8 9 , 4 4
E n t h a lp y ca l/ g m -3 0 2 6 , 2 7 6 -3 0 2 6 , 2 7 6 -1 0 0 6 , 7 0 9 -3 0 2 6 , 2 7 6 112, 4263 -3 4 2 , 0 5 7 8 -3 7 1 2 , 7 1 5 -1 2 0 6 , 1 0 5 -1 2 0 6 , 1 1 5 -1 2 0 6 , 0 9 4 -4 4 3 , 5 2 5 2 -3 4 2 , 0 5 7 8 -3 0 2 6 , 2 7 6 -1 0 3 1 , 5 4 4 -1 0 0 6 , 7 0 9 112, 4263 -9 8 0 , 4 7 8 9 -3 7 1 2 , 7 1 5 -9 8 0 , 4 7 8 9 -9 8 0 , 4 7 8 9 -3 7 6 5 , 2 3 0 -3 7 7 2 , 0 5 3 -3 7 6 8 , 6 4 2

E n t h a lp y ca l/ se c - 1 ,5 3 9 6 E + 7 - 3 ,0 7 9 2 E + 7 - 1 ,8 4 4 5 E + 8 - 1 ,5 3 9 6 E + 7 2 , 7 2 8 3 2 E + 5 - 5 ,7 2 8 2 E + 6 - 3 ,0 8 4 5 E + 7 - 3 ,2 6 4 4 E + 6 - 1 ,6 3 2 2 E + 6 - 1 ,6 3 2 2 E + 6 - 7 ,4 2 7 3 E + 6 - 5 ,7 2 8 2 E + 6 - 3 ,0 7 9 2 E + 7 - 1 ,8 9 0 0 E + 8 - 1 ,8 4 4 5 E + 8 2 , 7 2 8 3 2 E + 5 - 1 ,5 2 7 0 E + 8 - 3 ,0 8 4 5 E + 7 - 1 ,6 9 6 8 E + 7 - 1 ,6 9 6 7 E + 8 - 1 ,4 0 6 0 E + 7 - 1 ,4 0 8 5 E + 7 - 2 ,8 1 4 5 E + 7
E n t ro p y ca l/ mo l- K -3 5 , 7 0 3 2 7 -3 5 , 7 0 3 2 7 -1 , 3 5 3 2 9 1 -3 5 , 7 0 3 2 7 -3 7 , 1 3 7 0 1 4, 245299 -3 4 , 8 7 0 5 8 -5 0 , 3 0 8 6 7 -5 0 , 3 0 8 6 4 -5 0 , 3 0 9 0 2 3, 076616 4, 245299 -3 5 , 7 0 3 2 7 -2 , 5 6 0 5 3 4 -1 , 3 5 3 2 9 1 -3 7 , 1 3 7 0 1 -3 , 2 3 6 7 5 8 -3 4 , 8 7 0 5 8 -3 , 2 3 6 7 5 8 -3 , 2 3 6 7 5 8 -3 9 , 1 1 1 4 5 -3 9 , 5 3 1 7 3 -3 9 , 3 2 0 3 8
E n t ro p y ca l/ g m- K -1 , 5 7 6 8 8 6 -1 , 5 7 6 8 8 6 -, 0 5 3 4 6 3 6 -1 , 5 7 6 8 8 6 -, 8 8 2 5 2 0 2 , 1608465 -1 , 9 3 5 6 1 1 -, 7 0 3 3 9 9 9 -, 7 0 3 4 0 5 0 -, 7 0 3 3 9 9 6 , 1165673 , 1608465 -1 , 5 7 6 8 8 6 -, 1 0 1 5 0 6 4 -, 0 5 3 4 6 3 6 -, 8 8 2 5 2 0 2 -, 1 2 6 9 8 5 8 -1 , 9 3 5 6 1 1 -, 1 2 6 9 8 5 8 -, 1 2 6 9 8 5 8 -2 , 1 5 5 2 5 4 -2 , 1 7 8 4 2 6 -2 , 1 6 6 7 7 4

De n sit y mo l /cc , 0405388 , 0 4 0 5 3 8 8 9 , 3 8 3 3 2 E -5 , 0 4 0 5 3 8 8 1 , 9 1 6 6 1 E -4 6 , 4 0 2 5 1 E -5 , 0509729 , 0130952 , 0130954 , 0130951 2 , 4 8 2 8 0 E -5 6 , 4 0 2 5 1 E -5 , 0 4 0 5 3 8 8 3 , 5 4 1 6 6 E -5 9 , 3 8 3 3 2 E -5 1 , 9 1 6 6 1 E -4 8 , 1 0 2 0 8 E -5 , 0509729 8 , 1 0 2 0 8 E -5 8 , 1 0 2 0 8 E -5 , 0548578 , 0552301 , 0430633
De n sit y g m/ cc , 9178656 , 9 1 7 8 6 5 6 2 , 3 7 5 1 4 E -3 , 9 1 7 8 6 5 6 8 , 0 6 5 2 4 E -3 1 , 6 8 9 8 4 E -3 , 9182917 , 9366022 , 9366039 , 9366006 6 , 5 5 2 9 7 E -4 1 , 6 8 9 8 4 E -3 , 9 1 7 8 6 5 6 8 , 9 3 3 9 6 E -4 2 , 3 7 5 1 4 E -3 8 , 0 6 5 2 4 E -3 2 , 0 6 5 1 5 E -3 , 9182917 2 , 0 6 5 1 5 E -3 2 , 0 6 5 1 5 E -3 , 9955057 1, 002257 , 7814696
Ave ra g e MW 22, 64163 22, 64163 25, 31235 22, 64163 42, 08064 26, 39348 18, 01528 71, 52214 71, 52159 71, 52268 26, 39348 26, 39348 22, 64163 25, 22534 25, 31235 42, 08064 25, 48914 18, 01528 25, 48914 25, 48914 18, 14702 18, 14692 18, 14697
Liq Vo l 6 0 F l/ mi n 302, 5892 605, 1784 17056, 16 302, 5892 279, 7773 1732, 036 499, 4435 155, 3450 77, 67189 77, 67306 1732, 036 1732, 036 605, 1784 17317, 00 17056, 16 279, 7773 14805, 74 499, 4435 1645, 238 16450, 98 224, 9173 224, 9161 449, 8334

The dimensional simulation of separator for RadFrac Distillation Column

The dimensional specification are shown in the table below for one distillation column;
all the specification were taken from the simulation results.

11
CHEMICAL ENGINEERING COMPUTING 2

Optimization was made by splitting into two the feed going to two distillation
column in order to increase purity and minimize column diameter.
The table below and figure shows the results of the optimized simulation. The
quality of separation and the purity are very good, but we are not satisfied with the
diameter of the column of 6.8meters.
Comments
The simulation is running without any error and warning; but the diameter of the
columns are little high from our point of view. We could improve further the simulations
in future study.
The second point was to reach a purity of Acrylic Acid 99.9%, which still remains very
difficult to separate from water and the Acetic Acid (by-product); it is fairly easy until
95% of acrylic Acid.
Figure 1 is the binary mixture of x-y diagram Acrylic acid and water are shown below:

12
CHEMICAL ENGINEERING COMPUTING 2
y-x diagram for ACRYL-01/WATER
1,00

0,95

0,90

0,85

0,80

0,75
1,0 atm
0,70
Vapor mole fraction, WATER

0,65

0,60

0,55

0,50

0,45

0,40

0,35

0,30

0,25

0,20

0,15

0,10

0,05

0,00
0,00 0,05 0,10 0,15 0,20 0,25 0,30 0,35 0,40 0,45 0,50 0,55 0,60 0,65 0,70 0,75 0,80 0,85 0,90 0,95 1,00

Liquid mole fraction, WATER

Figure 2 below is shown temperature versus number of stages to separator from

RadFrac Distillation.
Block RADFRAC1: Temper at ur e Profile
395

390

385

380

375

370

365
Temperature K

360

355

350

345

340

335 Temperature K

330

325

320

315

310

305

300

295

290

285
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30

Stage

13
CHEMICAL ENGINEERING COMPUTING 2
Separation of Acrylic acid from Water by RadFrac distillation
Graph below shows the mole fraction of composition for acrylic and water (vapor and
liquid) across the column or number of stages.

Block RADFRAC1: Composition Pr ofiles

1,00

0,95

0,90

0,85

0,80

0,75

0,70

0,65
Mole fraction

0,60
Liquid mole fraction WATER
0,55 Liquid mole fraction ACRYL-01
Vapor mole fraction WATER
0,50
Vapor mole fraction ACRYL-01

0,45

0,40

0,35

0,30

0,25

0,20

0,15

0,10

0,05

0,00
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30

Stage

Figure3. mole fraction of vapors and liquids of the composition of water and acrylic acid
versus number of stages

The graph below shows the composition of water and acrylic acid in liquid phase
separation, y-axis shows the liquid mole fraction and x-axis represent number of
stages.
Block RADFRAC1: Composition Pr ofiles
1,00

0,95

0,90

0,85

0,80

0,75

0,70

0,65
Liquid mole fraction WATER
Mole fraction

0,60 Liquid mole fraction ACRYL-01

0,55

0,50

0,45

0,40

0,35

0,30

0,25

0,20

0,15

0,10

0,05

0,00
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30

Stage

Figure 4 mole fraction of liquid only versus number of stages.

14
CHEMICAL ENGINEERING COMPUTING 2
Reference
[1]. Felder, R. M. and R. W. Rousseau, Elementary Principles of Chemical Processes (2nd
ed.), Wiley, New York, 1986.
[2]. Perry, R. H. and D. Green, eds., Perry’s Chemical Engineering Handbook (6th ed.),
McGraw-Hill, New York, 1984.
[3]. Kurland, J.J. and D.B. Bryant, “Shipboard Polymerization of Acrylic Acid,” Plant
Operations Progress, 6, 4, 203-207 (1987).

15