Workshop 12

Materials for Participants Module Instruction Sequence and Problem Statements by Core Course
1

Workshop 12
Simulators for Design Across the Curriculum
ASEE Summer School, Colorado, August 2002

Workshop Leaders: Daniel R. Lewin (DRL), Dept. of Chemical Engineering, Technion.
Warren D. Seider (WDS), Dept. of Chemical Engineering, Penn.

Workshop Objective: During the senior year design project, teams of students carry out an
integrated process design, determining its technical, environmental, safety, and economic
feasibility. Due to the problem scale, this inevitably involves the use of a process simulator to
formulate and solve the material and energy balances, with phase and chemical equilibria and
chemical kinetics, for cost estimation and economic evaluation. The availability of a reliable
process model allows the design team to assess rapidly the economic potential for alternative
designs, as well as to derive operating conditions using optimization methods that incorporate
economics. To ensure that students are prepared to meet the challenges of the design project,
they should be prepared for the competent and critical use of the process simulators. This is best
achieved by a gradual exposure to aspects of their use through various exercises in the core
courses. This workshop, which is intended for chemical engineering faculty, shows one way to
achieve this objective.

Contents: This document is an assembly of: (1) suggested instruction sequences, using the
multimedia CD-ROM (Using Process Simulators in Chemical Engineering: A Multimedia Guide
for the Core Curriculum), henceforth referred to as the multimedia, and (2) problem statements
and solutions for class exercises and projects using process simulators to support many of the
chemical engineering core courses. Materials are included for courses on: Material and Energy
Balances, Thermodynamics, Heat Transfer, Separation Principles, and Reactor Design. ASPEN
PLUS, HYSYS.Plant, BATCH PLUS, and IPE files used for the solutions of the exercises are
also available on this CD. In addition, each participant of Workshop 12 will receive a CD
Containing Version 1.2 of Using Process Simulators in Chemical Engineering: A Multimedia
Guide for the Core Curriculum.


2

Chemical Engineering Principles and Material and Energy Balances

HYSYS.Plant

The materials supporting a course in material and energy balances assume that that at
least four hours of computer laboratory time is allocated to the exercises. A self-paced approach
using the multimedia allows the students to bring themselves up-to-speed on the use of a
process simulator to develop and solve material and energy balances of process flowsheets
involving simple models of unit operations and recycles. The following sequence of modules is
recommended:

Session 1: Under Principles of Process Flowsheet Simulation, access Getting Started in HYSYS
(overview). Its main menu consists of four sections (1. Define the Fluid Package, 2.
Set Up the Simulation, 3. Convergence of Simulation, and 4. Advanced Techniques).
Students should review all three modules in the first section on the fluid package,
and the first three modules in the second section on setting up the simulation.

Session 2: At this point, the student should be ready to construct and solve a relatively simple
example. The first tutorial supporting a course in M&E balances, Ammonia/Water
Separation, is appropriate. The student should follow the multimedia while at the
same time develop his/her version of the simulation using HYSYS.Plant.


3

Session 3: Begin by reviewing material learned so far review the module Do It Yourself (the
fifth module under Getting Started in HYSYS - 2. Set Up the Simulation). Next
briefly review the section Getting Started in HYSYS - 3. Convergence of Simulation,
paying particular attention to the section on Recycle Implementation.

Session 4: At this point, the student should try to set up and solve a flowsheet involving
material recycle. The second tutorial supporting a course in M&E balances,
Ethylchloride Manufacture, is appropriate. The student should follow the
multimedia while at the same time develop his/her version of the simulation using
HYSYS.Plant.

Session 5: If additional time is available, the student can complete the review of materials
supporting initial use of HYSYS.Plant, i.e., the remaining items in Getting Started in
HYSYS - 3. Convergence of Simulation, and Getting Started in HYSYS - 4. Advanced
Techniques. The most important features that should be covered are the materials
that support for the use of the Spreadsheet and Databook, to assist in sensitivity
analysis. If time is available, the student should also cover the use of Set and Adjust
(in Part 3) and the Optimizer (in Part 4).

A project should be assigned to groups of up to three students, to reinforce their acquired
capabilities. A typical project definition is provided.

4

Chemical Engineering Principles and Material and Energy Balances

ASPEN PLUS

The materials supporting a course in material and energy balances assume that that at
least four hours of computer laboratory time is allocated to the exercises. A self-paced approach
using the multimedia allows the students to bring themselves up-to-speed on the use of a
process simulator to develop and solve material and energy balances of process flowsheets
involving simple models of unit operations and recycles. The following sequence of modules is
recommended. Note that this sequence has not been class-tested using ASPEN PLUS. However,
a similar sequence using HYSYS.Plant, on the previous two pages, has been class-tested
successfully:

Session 1: Under Principles of Process Flowsheet Simulation, access Getting Started in ASPEN
PLUS (overview). Its main menu consists of five sections (1. Brief Introduction, 2.
Setting Up, 3. Convergence, 4. Sensitivity Analysis, and 5. Sample Problem).
Students should review modules 1-3 and 5.

Session 2: At this point, the student should be ready to construct and solve a relatively simple
example. The first tutorial supporting a course in M&E balances, Ammonia/Water
Separation, is appropriate. The student should follow the multimedia while at the
same time develop his/her version of the simulation using ASPEN PLUS.


5

Session 3: Briefly review the section ASPEN -Getting Started - 3. Convergence, paying
particular attention to the section on Recycle.

Session 4: At this point, the student should try to set up and solve a flowsheet involving
material recycle. The second tutorial supporting a course in M&E balances,
Ethylchloride Manufacture, is appropriate. The student should follow the
multimedia while at the same time develop his/her version of the simulation.

Session 5: If additional time is available, the student can complete the review of materials
supporting initial use of ASPEN PLUS, i.e., the remaining items in ASPEN - Getting
Started - 3. Convergence (especially, Control Blocks), and ASPEN - Getting Started
- 4. Sensitivity Analysis.

A project should be assigned to groups of up to three students, to reinforce their acquired
capabilities. A typical project definition is provided. Three homework problems are suggested:
(Exercise A.1) (Exercise A.2) (Exercise A.3)

BATCH PLUS

BATCH PLUS, an Aspen Tech product, carries out material and energy balances for
batch plants and prepares operating schedules (Gantt charts). In the second edition of SSL, we
have added material on the synthesis of a process to manufacture tissue plasminogen activator
(tPA). Then, a simulation of the tPA process is carried out using BATCH PLUS. For a course
on chemical engineering principles and material and energy balances at the sophomore level, this
material could be presented with the exercise provided below. The file TPA SYNTHESIS.PDF
provide the text that covers the synthesis and simulation steps.

6

Material and Energy Balances Example Project

Methanol is manufactured in a synthesis loop, in which a mixture of carbon
dioxide and hydrogen is reacted to form the methonal product at high pressure:
O H OH CH H 3 + CO
2 3 2 2
+

The synthesis gas fed to the process, illustrated above, is largely composed of hydrogen
and carbon dioxide, but with traces of inert gases as in Table 1. Additional specifications for the
process are:
SRK property predictions should be employed
Pressure drops is all units can be neglected
Converter feed temperature is set to 400
o
C
The converter can be approximated as a conversion reactor, operating
adiabatically.
The reactor conversion depends of the operating pressure, according to Table 2.
The reactor effluent is cooled to a temperature of T
S
using a cooler, and fed to a
flash unit, modeled by a separator.

Table 1. Process feed stream specification.
Composition ( mol %) Hydrogen 74.85
Carbon dioxide 24.95
CH
4
0.1
Argon 0.1
Flow rate (kgmol/hr) 1000
Temperature (
o
C) 50
Pressure (MPa) P
S

Table 2. Conversion as a function of pressure
P
S
[MPa] CO
2
conversion [%] P
S
[MPa] CO
2
conversion [%]
5.0 28.0
20.0 35.5
7.5 29.5 22.5 37.0
10.0 31.0 25.0 38.5
12.5 32.5 30.0 40.0
15.0 34.0

Feed 50
0
C
P
s
S-1 S-2 S-3
S-4
T
s
Product
Purge
Separator
Adiabatic
Converter
400
0
C
Heater
Cooler
S-5
S-6

7

Your tasks:
1. Solve the material and energy balances for the flowsheet for a purge flow rate of 600
kg/h, and values for P
S
and T
S
by group, according to Table 3. Ensure an accuracy of 3
significant figures.

Table 3. Operating specifications by student group.
Group No. T
S
(C) P
S
(MPa) Group No. T
S
(C) P
S
(MPa)
1 10 16 10
2 20 17 20
3 30

5.0
18 30

17.5

4 10 19 10
5 20 20 20
6 30

7.5

21 30

20.0

7 10 22 10
8 20 23 20
9 30

10.0
24 30

22.5

10 10 25 10
11 20 26 20
12 30

12.5

27 30

25.0

13 10 28 10
14 20 29 20
15 30

15.0
30 30

30.0

2. An operating window for the process is defined by a closed polygon in T
S
Purge space,
within which, the following constraints are met:
200 < Purge < 1000 kg/h
0 < T
S
< 40
o
C
Mass flow rate of recycle 35 T/hr
CO
2
mol. fraction in product 2.5 mol %
Mass flow rate of methanol in product 7,200 kg/hr

Determine the operating window for the operating pressure for your group in Table 3. Try
and estimate the limits of the operating window as accurately as possible, and plot the
result as a function of T
S
and Purge flow rate, as shown below.

HYSYS.Plant Solution
Purge [kg/h]
T
s

[
o
C
]

Operating
Window

8

Exercise A.1 Flash with Recycle Problem (Exercise 3.1, SSL)

a. Consider the flash separation process shown below:

If using ASPEN PLUS, solve all three cases using the MIXER, FLASH2,
FSPLIT, and PUMP subroutines and the RK-SOAVE option set for
thermophysical properties. Compare and discuss the flow rates and
compositions for the overhead stream produced by each of the three cases.

b. Modify Case 3 of Exercise 3.1a to determine the flash temperature
necessary to obtain 850 lb/hr of overhead vapor. If using ASPEN PLUS, a
design specification can be used to adjust the temperature of the flash drum
to obtain the desired overhead flow rate.

ASPEN PLUS Solution


9

Exercise A.2 Ammonia Synthesis Loop Problem (Example 4.3, SSL)

For the ammonia process in Example 4.3, consider operation of the reactor at 932F and
400 atm. Use a simulator to show how the product, recycle, and purge flow rates, and the mole
fractions of argon and methane, vary with the purge-to-recycle ratio. How do the power
requirements for compression increase?

Example 4.3 Ammonia Process Purge
In this example, the ammonia reactor loop:

is simulated using ASPEN PLUS to examine the effect of the purge-to-recycle ratio on the purge
stream and the recycle loop. For the ASPEN PLUS flowsheet below, the followingspecifications
are made:
Simulation Unit Subroutine T,F P,atm
R1 REQUIL 932 200
F1 FLASH2 -28 136.3

and the Chao-Seader option set is selected to estimate the thermophysical properties. Note that
the REQUIL subroutine calculates chemical equilibria at the temperature and pressure specified,
as discussed in the REQUIL module on the multimedia CD-ROM.
The combined feed stream, at 77F and 200 atm, is comprised of:

lbmole/hr Mole fraction
H
2
24 0.240
N
2
74.3 0.743
Ar 0.6 0.006
CH
4
1.1 0.011
100.0 1.000

ASPEN PLUS Solution


10

Exercise A.3 Near-isothermal Distillation (Cavett) Problem (Exercise 3.7, SSL)

A near-isothermal distillation process, having multiple recycle loops formulated by R. H.
Cavett (Proc. Am. Petrol. Inst., 43, 57 (1963)), has been used extensively to test tearing,
sequencing, and convergence procedures. Although the process flowsheet requires compressors,
valves, and heat exchangers, a simplified ASPEN PLUS flowsheet is (excluding the recycle
convergence units):

In this form, the process is the equivalent of a four-theoretical-stage, near-isothermal distillation
(rather than the conventional near-isobaric type), for which a patent by A. Gunther (U.S. Patent
3,575,077, April 13, 1971) exists. For the specifications shown on the flowsheet, use a process
simulator to determine the component flow rates for all streams in the process.

ASPEN PLUS Solution

11

Exercise A.4 Scheduling Batch Reactors Problem (New Exercise 4.19, SSL)

Debottlenecking Reactor Train. To prepare for this exercise, read the background
materials in TPA SYNTHESIS.PDF. These new sections are for the second edition of SSL.

When the third tPA cultivator in Section 3.4 is added to the two cultivators in Example
4.1, as shown in Figure 4.25a, a significant time strain is placed on the process because the
combined feed, cultivation, harvest, and cleaning time in this largest vessel is long and rigid.
Consequently, the remainder of the process is designed to keep this cultivator in constant use, so
as to maximize the yearly output of product. Note that, in many cases, when an equipment item
causes a bottleneck, a duplicate is installed so as to reduce the cycle time.

For this exercise, the third cultivator is added to the simulation in Example 4.1, with the
specifications for the mixer, filter, holding tank, heat exchanger 1, and first two cultivators
identical to those in Example 4.1. After the cultivation is completed in Cultivator 2, its cell mass
is transferred as inoculum to Cultivator 3 over 0.5 day. Then, the remaining media from the
mixing tank is heated to 37F and added over 1.5 day, after which cultivation takes place over
eight days. Immediately after the transfer from Cultivator 2 to Cultivator 3, Cultivator 2 is
cleaned-in-place using 600 Kg of water over 20 hours. The yield of the cultivation in Cultivator 3
is 11.4 wt% tPA-CHO cells, 7.7 10
-5
wt% endotoxin, 88.9 wt% water, and 0.0559 wt% tPA.
When the cultivation is completed in Cultivator 3, its contents are cooled in a heat exchanger to
4C and transferred to the centrifuge holding tank over one day, and Cultivator 3 is cleaned using
600 Kg of water over 67 hours and sterilized using the procedure for Cultivators 1 and 2.

To eliminate an undesirable bottleneck(s), and reduce the cycle time to 14 days (total
operation time of Fermenter 3), it may be necessary to add an equipment unit(s).

Print and submit the text recipes and 3-batch schedules for both the original process and
the modified process, if debottlenecking is necessary, as prepared by BATCH PLUS.

For background materials and
BATCH PLUS solution, see
TPA SYNTHESIS.PDF


12

Material and Energy Balances Solution Sketch of Example Project using HYSYS.Plant

1. The flowsheet is set up and its material and energy balance solved using HYSYS.Plant is
a straight-forward fashion. A sample solution file is given as METHANOL_PART1.hsc.

2. The second part of the problem is more interesting. This involves the use of the
Spreadsheet, to generate Boolean variables corresponding to the feasibility of each of the
three constraints:
Recycle: Mass flow rate of recycle 35 T/hr
Purity: CO
2
mol. fraction in product 2.5 mol %
Production: Mass flow rate of methanol in product 7,200 kg/hr

Subsequently, the Databook is used to construct 3D plots involving the Boolean variables
as a function of T
S
and Purge. Sample operating windows in T
S
Purge space, for
flowsheets designed for P
S
= 5 and 30 MPa are shown in Figure 1, noting that the
interpretation of the operating widows is given schematically in Figure 2. In general, the
recycle and production constraints lead to lower and upper limits on the allowed purge
flow rate, both of which are relatively independent on the separation temperature, T
S
. In
constrast, the purity constraint leads to a lower limit on T
S
, whose value increases with
increasing purge flow rate. As seen in Figure 1, the operating window is significantly
more limited for operation at lower pressures. The files METHANOL_PART2_05.hsc
and METHANOL_PART2_30.hsc provide sample solutions.

(a) (b)
Figure 1: Operating windows for (a) P
S
= 5 MPa; (b) P
S
= 30 MPa

13

Purge
T
S

0
o
C
40
o
C
Operating Window
Purity
Recycle
Production

Figure 2: Interpretation of constraints bounding the operating window.

The selection of operating point should consider the cost of energy, which increases
significantly as T
S
decreases, and the equipment costs, which increase exponentially with
decreasing purge flow rate. An appropriate choice would be at the top right-hand corner of the
operating window.

14

Exercise A.1 Solution using ASPEN.PLUS

3.1 a. ASPEN PLUS Flowsheet simulation results can be reproduced using the
file EXER3-1A.BKP on the CD-ROM.

ASPEN PLUS Simulation Flowsheet
S4
S4*
S2
LP
VP
M1
MIXER
FEED1
FEED2
$OLVER01
F1
FLASH2
S5 S3
S1
FSPLIT
P1
PUMP

M1
S5
FEED2
FEED1
S2
F1
VP
S3
S1
LP S4
P1

15

ASPEN PLUS Program

IN-UNITS ENG
DEF-STREAMS CONVEN ALL
DATABANKS PURE93 / AQUEOUS / SOLIDS / INORGANIC / &
NOASPENPCD
PROP-SOURCES PURE93 / AQUEOUS / SOLIDS / INORGANIC
COMPONENTS
METHANE CH4 METHANE /
ETHANE C2H6 ETHANE /
PROPANE C3H8 PROPANE /
N-BUTANE C4H10-1 N-BUTANE /
1-BUTENE C4H8-1 1-BUTENE /
1,3-BUTA C4H6-4 1,3-BUTA
FLOWSHEET
BLOCK M1 IN=S5 FEED2 FEED1 OUT=S2
BLOCK F1 IN=S2 OUT=VP S3
BLOCK S1 IN=S3 OUT=LP S4
BLOCK P1 IN=S4 OUT=S5
PROPERTIES RK-SOAVE
PROP-DATA RKSKIJ-1
IN-UNITS ENG
PROP-LIST RKSKIJ
BPVAL METHANE ETHANE -7.8000000E-3
BPVAL METHANE PROPANE 9.00000000E-3
BPVAL METHANE N-BUTANE 5.60000000E-3
BPVAL ETHANE PROPANE -2.2000000E-3
BPVAL ETHANE N-BUTANE 6.70000000E-3
BPVAL ETHANE METHANE -7.8000000E-3
BPVAL PROPANE ETHANE -2.2000000E-3
BPVAL PROPANE N-BUTANE 0.0
BPVAL PROPANE METHANE 9.00000000E-3
BPVAL N-BUTANE ETHANE 6.70000000E-3
BPVAL N-BUTANE PROPANE 0.0
BPVAL N-BUTANE METHANE 5.60000000E-3
BPVAL N-BUTANE 1-BUTENE -4.8000000E-3
BPVAL N-BUTANE 1,3-BUTA 8.10000000E-3
BPVAL 1-BUTENE N-BUTANE -4.8000000E-3
BPVAL 1-BUTENE 1,3-BUTA -4.4000000E-3
STREAM FEED1
SUBSTREAM MIXED TEMP=85 <C> PRES=100
MASS-FLOW METHANE 50 / ETHANE 100 / PROPANE 700
STREAM FEED2
SUBSTREAM MIXED TEMP=85 <C> PRES=100
MOLE-FLOW N-BUTANE 15 / 1-BUTENE 21 / 1,3-BUTA 95
BLOCK M1 MIXER
BLOCK S1 FSPLIT
FRAC S4 0.5
BLOCK F1 FLASH2
PARAM TEMP=5 <C> PRES=25
BLOCK P1 PUMP
PARAM PRES=100

Calculation Sequence

SEQUENCE USED WAS:
$OLVER01 P1 M1 F1 S1
(RETURN $OLVER01)


16

Stream Variables

FEED1 FEED2 LP S2 S3
--------------------
STREAM ID FEED1 FEED2 LP S2 S3
FROM : ---- ---- S1 M1 F1
TO : M1 M1 ---- F1 S1
SUBSTREAM: MIXED
PHASE: VAPOR VAPOR LIQUID MIXED LIQUID
COMPONENTS: LBMOL/HR
METHANE 3.1166 0.0 2.1961-02 3.1386 4.3923-02
ETHANE 3.3256 0.0 0.1616 3.4872 0.3232
PROPANE 15.8742 0.0 2.7989 18.6731 5.5978
N-BUTANE 0.0 15.0000 6.8587 21.8587 13.7175
1-BUTENE 0.0 21.0000 9.0466 30.0466 18.0932
1,3-BUTA 0.0 95.0000 41.5243 136.5243 83.0487
TOTAL FLOW:
LBMOL/HR 22.3165 131.0000 60.4122 213.7286 120.8245
LB/HR 850.0000 7188.8147 3280.9932 1.1320+04 6561.9864
CUFT/HR 1472.6295 8135.3222 84.7851 8814.7421 169.5702
STATE VARIABLES:
TEMP F 185.0000 185.0000 41.0000 126.7191 41.0000
PRES PSI 100.0000 100.0000 25.0000 100.0000 25.0000
VFRAC 1.0000 1.0000 0.0 0.7434 0.0
LFRAC 0.0 0.0 1.0000 0.2565 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -4.0234+04 2.9758+04 1.3635+04 1.7911+04 1.3635+04
BTU/LB -1056.3433 542.2708 251.0564 338.1758 251.0564
BTU/HR -8.9789+05 3.8983+06 8.2371+05 3.8281+06 1.6474+06
ENTROPY:
BTU/LBMOL-R -53.9876 -41.3689 -63.1321 -48.0510 -63.1321
BTU/LB-R -1.4174 -0.7538 -1.1624 -0.9072 -1.1624
DENSITY:
LBMOL/CUFT 1.5154-02 1.6103-02 0.7125 2.4247-02 0.7125
LB/CUFT 0.5772 0.8836 38.6977 1.2841 38.6977
AVG MW 38.0883 54.8764 54.3100 52.9634 54.3100
S4 S5 VP
--------
STREAM ID S4 S5 VP
FROM : S1 P1 F1
TO : P1 M1 ----
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID VAPOR
METHANE 2.1961-02 2.1961-02 3.0947
ETHANE 0.1616 0.1616 3.1639
PROPANE 2.7988 2.7988 13.0753
N-BUTANE 6.8587 6.8587 8.1411
1-BUTENE 9.0466 9.0466 11.9533
1,3-BUTA 41.5243 41.5243 53.4756
TOTAL FLOW:
LBMOL/HR 60.4121 60.4121 92.9041
LB/HR 3280.9860 3280.9860 4757.8142
CUFT/HR 84.7849 84.9629 1.9089+04
STATE VARIABLES:
TEMP F 41.0000 42.9764 41.0000

17

PRES PSI 25.0000 100.0000 25.0000
VFRAC 0.0 0.0 1.0000
LFRAC 1.0000 1.0000 0.0
SFRAC 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL 1.3635+04 1.3701+04 1.2859+04
BTU/LB 251.0555 252.2685 251.0950
BTU/HR 8.2371+05 8.2769+05 1.1947+06
ENTROPY:
BTU/LBMOL-R -63.1321 -63.0428 -44.6262
BTU/LB-R -1.1624 -1.1607 -0.8714
DENSITY:
LBMOL/CUFT 0.7125 0.7110 4.8669-03
LB/CUFT 38.6977 38.6166 0.2492
AVG MW 54.3100 54.3100 51.2120

Selected Process Unit Output

BLOCK: F1 MODEL: FLASH2
------------------------------
INLET STREAM: S2
OUTLET VAPOR STREAM: VP
OUTLET LIQUID STREAM: S3
PROPERTY OPTION SET: RK-SOAVE STANDARD RKS EQUATION OF STATE
*** MASS AND ENERGY BALANCE ***
IN OUT RELATIVE DIFF.
TOTAL BALANCE
MOLE(LBMOL/HR) 213.729 213.729 0.132980E-15
MASS(LB/HR ) 11319.8 11319.8 -0.299808E-10
ENTHALPY(BTU/HR ) 0.382808E+07 0.284209E+07 0.257568
*** INPUT DATA ***
TWO PHASE TP FLASH
SPECIFIED TEMPERATURE F 41.0000
SPECIFIED PRESSURE PSI 25.0000
MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0.00010000
*** RESULTS ***
OUTLET TEMPERATURE F 41.000
OUTLET PRESSURE PSI 25.000
HEAT DUTY BTU/HR -0.98599E+06
VAPOR FRACTION 0.43468
V-L PHASE EQUILIBRIUM :
COMP F(I) X(I) Y(I) K(I)
METHANE 0.14685E-01 0.36352E-03 0.33311E-01 91.633
ETHANE 0.16316E-01 0.26757E-02 0.34056E-01 12.728
PROPANE 0.87369E-01 0.46330E-01 0.14074 3.0378
N-BUTANE 0.10227 0.11353 0.87630E-01 0.77185
1-BUTENE 0.14058 0.14975 0.12866 0.85920
1,3-BUTA 0.63877 0.68735 0.57560 0.83742


18

The results above are for Case 1 (50% bottoms recycle) in Figure 3.11. For Cases 2
(25% bottoms recycle) and 3 (no recycle), the vapor and liquid product streams are
identical to those for Case 1. That is, the product streams and the heat removed from
the flash vessel are identical regardless of the amount of recycle. This is because the
vapor and liquid product streams are in phase equilibrium at the conditions of the flash
vessel.

Acyclic Simulation Flowsheet

Since the product streams do not change with recycle flow rate, they can be
computed at the conditions of the flash vessel. Then, given the recycle fraction, the
other streams can be computed. This is accomplished using the following ASPEN
PLUS simulation flowsheet.
S5 S2
S3
S4
FEED2
FEED1
LPA
LPB
S1
S1B
S1A
LP
F1
FLASH2
D1
DUPL
MIX1
MIXER
D2
DUPL
MUL1
MULT
P1
PUMP
M1
MIXER
MUL2
MULT
VP

Using this flowsheet, identical results are obtained.

3.1 b. ASPEN PLUS Flowsheet identical to that in Exer. 3.1a. The recycle
flow rate is zero.

Simulation results can be reproduced using the file EXER3-1B.BKP on the CD-
ROM.

ASPEN PLUS Simulation Flowsheet
F
T
T
$OLVER02
S4 LP
VP
S2*
M1
MIXER
FEED1
FEED2
S2
$OLVER01
F1
FLASH2
S5 S3
S1
FSPLIT
P1
PUMP
850 lb/hr


19

ASPEN PLUS Program identical to that in Exer. 3.1a with following change and
addition:
BLOCK S1 FSPLIT
FRAC S4 0

DESIGN-SPEC OVHD
DEFINE OVHD STREAM-VAR STREAM=VP SUBSTREAM=MIXED &
VARIABLE=MASS-FLOW
SPEC "OVHD" TO "850"
TOL-SPEC "0.01 "
VARY BLOCK-VAR BLOCK=F1 VARIABLE=TEMP SENTENCE=PARAM
LIMITS "0" "100"


SEQUENCE USED WAS:
$OLVER01 *P1 M1
| $OLVER02 F1
| (RETURN $OLVER02)
| S1
(RETURN $OLVER01)

Stream Variables

FEED1 FEED2 LP S2 S3
--------------------
STREAM ID FEED1 FEED2 LP S2 S3
FROM : ---- ---- S1 M1 F1
TO : M1 M1 ---- F1 S1
SUBSTREAM: MIXED
PHASE: VAPOR VAPOR LIQUID VAPOR LIQUID
METHANE 3.1166 0.0 0.2336 3.1166 0.2336
ETHANE 3.3256 0.0 1.3166 3.3256 1.3166
PROPANE 15.8742 0.0 11.8773 15.8742 11.8773
N-BUTANE 0.0 15.0000 13.9004 15.0000 13.9004
1-BUTENE 0.0 21.0000 19.2870 21.0000 19.2870
1,3-BUTA 0.0 95.0000 87.4743 95.0000 87.4743
TOTAL FLOW:
LBMOL/HR 22.3165 131.0000 134.0894 153.3165 134.0894
LB/HR 850.0000 7188.8147 7188.8082 8038.8147 7188.8082
CUFT/HR 1472.6295 8135.3222 184.0987 9621.0871 184.0987
STATE VARIABLES:
TEMP F 185.0000 185.0000 24.4944 184.7458 24.4944
PRES PSI 100.0000 100.0000 25.0000 100.0000 25.0000
VFRAC 1.0000 1.0000 0.0 1.0000 0.0
LFRAC 0.0 0.0 1.0000 0.0 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -4.0234+04 2.9758+04 1.0003+04 1.9570+04 1.0003+04
BTU/LB -1056.3433 542.2708 186.5833 373.2382 186.5833
BTU/HR -8.9789+05 3.8983+06 1.3413+06 3.0004+06 1.3413+06
ENTROPY:
BTU/LBMOL-R -53.9876 -41.3689 -64.4340 -42.3843 -64.4340
BTU/LB-R -1.4174 -0.7538 -1.2018 -0.8083 -1.2018
DENSITY:
LBMOL/CUFT 1.5154-02 1.6103-02 0.7283 1.5935-02 0.7283
LB/CUFT 0.5772 0.8836 39.0486 0.8355 39.0486

20

AVG MW 38.0883 54.8764 53.6120 52.4327 53.6120
S4 S5 VP
--------
STREAM ID S4 S5 VP
FROM : S1 P1 F1
TO : P1 M1 ----
SUBSTREAM: MIXED
PHASE: MISSING MISSING VAPOR
METHANE 0.0 0.0 2.8829
ETHANE 0.0 0.0 2.0090
PROPANE 0.0 0.0 3.9969
N-BUTANE 0.0 0.0 1.0995
1-BUTENE 0.0 0.0 1.7129
1,3-BUTA 0.0 0.0 7.5256
TOTAL FLOW:
LBMOL/HR 0.0 0.0 19.2270
LB/HR 0.0 0.0 850.0064
CUFT/HR 0.0 0.0 3852.4889
STATE VARIABLES:
TEMP F MISSING MISSING 24.4944
PRES PSI MISSING 100.0000 25.0000
VFRAC MISSING MISSING 1.0000
LFRAC MISSING MISSING 0.0
SFRAC MISSING MISSING 0.0
ENTHALPY:
BTU/LBMOL MISSING MISSING -3598.6336
BTU/LB MISSING MISSING -81.4008
BTU/HR MISSING MISSING -6.9191+04
ENTROPY:
BTU/LBMOL-R MISSING MISSING -43.0246
BTU/LB-R MISSING MISSING -0.9732
DENSITY:
LBMOL/CUFT MISSING MISSING 4.9908-03
LB/CUFT MISSING MISSING 0.2206
AVG MW MISSING MISSING 44.2088


------------------------------
INLET STREAM: S2
OUTLET VAPOR STREAM: VP
OUTLET LIQUID STREAM: S3
*** MASS AND ENERGY BALANCE ***
IN OUT RELATIVE DIFF.
TOTAL BALANCE
MOLE(LBMOL/HR) 153.317 153.317 -0.185379E-15
MASS(LB/HR ) 8038.81 8038.81 -0.138062E-11
ENTHALPY(BTU/HR ) 0.300039E+07 0.127212E+07 0.576015
*** INPUT DATA ***
TWO PHASE TP FLASH
SPECIFIED TEMPERATURE F 24.4945
SPECIFIED PRESSURE PSI 25.0000
MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0.00010000
*** RESULTS ***

21

V-L PHASE EQUILIBRIUM :
COMP F(I) X(I) Y(I) K(I)
METHANE 0.20328E-01 0.17428E-02 0.14994 86.038
ETHANE 0.21691E-01 0.98189E-02 0.10449 10.641
PROPANE 0.10354 0.88578E-01 0.20788 2.3469
N-BUTANE 0.97837E-01 0.10367 0.57185E-01 0.55163
1-BUTENE 0.13697 0.14384 0.89091E-01 0.61939
1,3-BUTA 0.61963 0.65236 0.39141 0.60000


22


Several variables are tabulated as a function of the purge/recycle ratio:

Purge Purge
Purge/Recycle
Ratio

PROD
flow rate,
lbmole/h
Recycle
flow rate,
lbmole/h
Purge
flow rate,
lbmole/h
Mole
fraction
Ar
Mole
fraction
CH
4

0.1 39.2 191.0 19.1 0.028 0.052
0.08 40.75 209.3 16.7 0.033 0.060
0.06 42.4 233.9 14.0 0.040 0.074
0.04 44.3 273.5 10.9 0.053 0.093
0.02 45.8 405.6 8.1 0.072 0.133

In all cases, the mole fraction of Ar and CH
4
in the purge are significantly greater than in the feed.
As the purge/recycle ratio is decreased, the vapor effluent from the flash vessel becomes richer in
the inert species and less H
2
and N
2
are lost in the purge stream. However, this is accompanied
by a significant increase in the recycle rate and the cost of recirculation, as well as reactor
volume. Note that the EXAM4-3.BKP file on this CD-ROM can be used to reproduce these
results. Although not implemented in this file, the purge/recycle ratio can be adjusted
parametrically by varying the fraction of stream S5 purged in a sensitivity analysis, which is one
of the model analysis tools in ASPEN PLUS. The capital and operating costs can be estimated
and a profitability measure optimized as a function of the purge/recycle ratio.


23


ASPEN PLUS Flowsheet - simulation results can be reproduced using the
file EXER3-7.BKP on the CD-ROM.

ASPEN PLUS Program

IN-UNITS ENG
DESCRIPTION "General Simulation with English Units :
F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr.
Property Method: None Flow basis for input: Mole
Stream report composition: Mole flow "
NOASPENPCD
COMPONENTS
NITROGEN N2 NITROGEN /
CO2 CO2 CO2 /
H2S H2S H2S /
METHANE CH4 METHANE /
ETHANE C2H6 ETHANE /
PROPANE C3H8 PROPANE /
ISOBU-01 C4H10-2 ISOBU-01 /
FLASH2
F1
V2 L1
V1
FLASH2
F2
FEED
V3
L2
FLASH2
F3
V4
L3
FLASH2
F4
L4

24

N-BUT-01 C4H10-1 N-BUT-01 /
2-MET-01 C5H12-2 2-MET-01 /
N-PEN-01 C5H12-1 N-PEN-01 /
N-HEX-01 C6H14-1 N-HEX-01 /
N-HEP-01 C7H16-1 N-HEP-01 /
N-OCT-01 C8H18-1 N-OCT-01 /
N-NON-01 C9H20-1 N-NON-01 /
N-DEC-01 C10H22-1 N-DEC-01 /
N-DOD-01 C12H26 N-DOD-01
FLOWSHEET
BLOCK F1 IN=V2 OUT=V1 L1
BLOCK F2 IN=FEED L1 V3 OUT=V2 L2
BLOCK F3 IN=L2 V4 OUT=V3 L3
BLOCK F4 IN=L3 OUT=V4 L4
PROPERTIES RK-SOAVE
PROP-DATA RKSKIJ-1
IN-UNITS ENG
PROP-LIST RKSKIJ
BPVAL NITROGEN CO2 -.0315000000
BPVAL NITROGEN H2S .1696000000
BPVAL NITROGEN METHANE .0278000000
BPVAL NITROGEN ETHANE .0407000000
BPVAL NITROGEN PROPANE .0763000000
BPVAL NITROGEN ISOBU-01 .0944000000
BPVAL NITROGEN N-BUT-01 .0700000000
BPVAL NITROGEN 2-MET-01 .0867000000
BPVAL NITROGEN N-PEN-01 .0878000000
BPVAL NITROGEN N-HEX-01 .1496000000
BPVAL NITROGEN N-HEP-01 .1422000000
BPVAL NITROGEN N-OCT-01 -.4000000000
BPVAL CO2 H2S .0989000000
BPVAL CO2 METHANE .0933000000
BPVAL CO2 ETHANE .1363000000
BPVAL CO2 PROPANE .1289000000
BPVAL CO2 ISOBU-01 .1285000000
BPVAL CO2 N-BUT-01 .1430000000
BPVAL CO2 2-MET-01 .1307000000
BPVAL CO2 N-PEN-01 .1311000000
BPVAL CO2 N-HEX-01 .1178000000
BPVAL CO2 N-HEP-01 .1100000000
BPVAL CO2 NITROGEN -.0315000000
BPVAL H2S CO2 .0989000000
BPVAL H2S ETHANE .0852000000
BPVAL H2S PROPANE .0885000000
BPVAL H2S ISOBU-01 .0511000000
BPVAL H2S N-PEN-01 .0689000000
BPVAL H2S NITROGEN .1696000000
BPVAL METHANE CO2 .0933000000
BPVAL METHANE ETHANE -7.8000000E-3
BPVAL METHANE PROPANE 9.00000000E-3
BPVAL METHANE ISOBU-01 .0241000000
BPVAL METHANE N-BUT-01 5.60000000E-3
BPVAL METHANE 2-MET-01 -7.8000000E-3
BPVAL METHANE N-PEN-01 .0190000000
BPVAL METHANE N-HEX-01 .0374000000
BPVAL METHANE N-HEP-01 .0307000000
BPVAL METHANE N-OCT-01 .0448000000
BPVAL METHANE NITROGEN .0278000000
BPVAL METHANE N-NON-01 .0448000000
BPVAL ETHANE CO2 .1363000000
BPVAL ETHANE H2S .0852000000
BPVAL ETHANE METHANE -7.8000000E-3
BPVAL ETHANE PROPANE -2.2000000E-3
BPVAL ETHANE ISOBU-01 -.0100000000
BPVAL ETHANE N-BUT-01 6.70000000E-3

25

BPVAL ETHANE N-PEN-01 5.60000000E-3
BPVAL ETHANE N-HEX-01 -.0156000000
BPVAL ETHANE N-HEP-01 4.10000000E-3
BPVAL ETHANE N-OCT-01 .0170000000
BPVAL ETHANE NITROGEN .0407000000
BPVAL PROPANE CO2 .1289000000
BPVAL PROPANE H2S .0885000000
BPVAL PROPANE METHANE 9.00000000E-3
BPVAL PROPANE ETHANE -2.2000000E-3
BPVAL PROPANE ISOBU-01 -.0100000000
BPVAL PROPANE N-BUT-01 0.0
BPVAL PROPANE 2-MET-01 7.80000000E-3
BPVAL PROPANE N-PEN-01 .0233000000
BPVAL PROPANE N-HEX-01 -2.2000000E-3
BPVAL PROPANE N-HEP-01 4.40000000E-3
BPVAL PROPANE NITROGEN .0763000000
BPVAL ISOBU-01 CO2 .1285000000
BPVAL ISOBU-01 H2S .0511000000
BPVAL ISOBU-01 METHANE .0241000000
BPVAL ISOBU-01 ETHANE -.0100000000
BPVAL ISOBU-01 PROPANE -.0100000000
BPVAL ISOBU-01 N-BUT-01 1.10000000E-3
BPVAL ISOBU-01 NITROGEN .0944000000
BPVAL N-BUT-01 CO2 .1430000000
BPVAL N-BUT-01 METHANE 5.60000000E-3
BPVAL N-BUT-01 ETHANE 6.70000000E-3
BPVAL N-BUT-01 PROPANE 0.0
BPVAL N-BUT-01 ISOBU-01 1.10000000E-3
BPVAL N-BUT-01 N-PEN-01 .0204000000
BPVAL N-BUT-01 N-HEX-01 -.0111000000
BPVAL N-BUT-01 N-HEP-01 -4.0000000E-4
BPVAL N-BUT-01 NITROGEN .0700000000
BPVAL 2-MET-01 CO2 .1307000000
BPVAL 2-MET-01 METHANE -7.8000000E-3
BPVAL 2-MET-01 PROPANE 7.80000000E-3
BPVAL 2-MET-01 N-PEN-01 0.0
BPVAL 2-MET-01 NITROGEN .0867000000
BPVAL N-PEN-01 CO2 .1311000000
BPVAL N-PEN-01 H2S .0689000000
BPVAL N-PEN-01 METHANE .0190000000
BPVAL N-PEN-01 ETHANE 5.60000000E-3
BPVAL N-PEN-01 PROPANE .0233000000
BPVAL N-PEN-01 N-BUT-01 .0204000000
BPVAL N-PEN-01 2-MET-01 0.0
BPVAL N-PEN-01 N-HEP-01 1.90000000E-3
BPVAL N-PEN-01 N-OCT-01 -2.2000000E-3
BPVAL N-PEN-01 NITROGEN .0878000000
BPVAL N-HEX-01 CO2 .1178000000
BPVAL N-HEX-01 METHANE .0374000000
BPVAL N-HEX-01 ETHANE -.0156000000
BPVAL N-HEX-01 PROPANE -2.2000000E-3
BPVAL N-HEX-01 N-BUT-01 -.0111000000
BPVAL N-HEX-01 N-HEP-01 -1.1000000E-3
BPVAL N-HEX-01 NITROGEN .1496000000
BPVAL N-HEP-01 CO2 .1100000000
BPVAL N-HEP-01 METHANE .0307000000
BPVAL N-HEP-01 ETHANE 4.10000000E-3
BPVAL N-HEP-01 PROPANE 4.40000000E-3
BPVAL N-HEP-01 N-BUT-01 -4.0000000E-4
BPVAL N-HEP-01 N-PEN-01 1.90000000E-3
BPVAL N-HEP-01 N-HEX-01 -1.1000000E-3
BPVAL N-HEP-01 NITROGEN .1422000000
BPVAL N-OCT-01 METHANE .0448000000
BPVAL N-OCT-01 ETHANE .0170000000
BPVAL N-OCT-01 N-PEN-01 -2.2000000E-3

26

BPVAL N-OCT-01 NITROGEN -.4000000000
BPVAL N-NON-01 METHANE .0448000000
STREAM FEED
SUBSTREAM MIXED TEMP=120. PRES=284.7
MOLE-FLOW NITROGEN 358.2 / CO2 4965.6 / H2S 339.4 / &
METHANE 2995.5 / ETHANE 2395.5 / PROPANE 2291. / &
ISOBU-01 604.1 / N-BUT-01 1539.9 / 2-MET-01 790.4 / &
N-PEN-01 1129.9 / N-HEX-01 1764.7 / N-HEP-01 2606.7 / &
N-OCT-01 1844.5 / N-NON-01 1669. / N-DEC-01 831.7 / &
N-DOD-01 1214.5
BLOCK F1 FLASH2
PARAM TEMP=100. PRES=814.7
BLOCK F2 FLASH2
BLOCK F3 FLASH2
BLOCK F4 FLASH2


SEQUENCE USED WAS:
$OLVER01 F2 F1 F3 F4
(RETURN $OLVER01)
Stream Variables

FEED L1 L2 L3 L4
----------------
STREAM ID FEED L1 L2 L3 L4
FROM : ---- F1 F2 F3 F4
TO : F2 F2 F3 F4 ----
SUBSTREAM: MIXED
PHASE: MIXED LIQUID LIQUID LIQUID LIQUID
NITROGEN 358.2000 7.2105 22.8707 0.4965 1.7507-02
CO2 4965.6000 332.2386 1913.4766 309.4625 74.1176
H2S 339.4000 36.5041 290.1682 110.4444 52.4278
METHANE 2995.5000 116.1405 445.3504 24.4871 2.1453
ETHANE 2395.5000 237.2793 1510.5860 404.8408 145.5180
PROPANE 2291.0000 275.7346 2608.0792 1543.6508 1020.4873
ISOBU-01 604.1000 53.7814 701.2211 556.9299 461.9468
N-BUT-01 1539.9000 114.5864 1742.7375 1472.3644 1284.4581
2-MET-01 790.4000 37.2868 845.8587 785.7948 741.2558
N-PEN-01 1129.9000 44.8785 1191.6967 1125.5810 1077.0711
N-HEX-01 1764.7000 35.8039 1803.2644 1769.6980 1745.8170
N-HEP-01 2606.7000 24.9910 2628.7094 2611.1753 2599.6604
N-OCT-01 1844.5000 7.6824 1850.3056 1846.0705 1843.5053
N-NON-01 1669.0000 2.9719 1670.9576 1669.5788 1668.8073
N-DEC-01 831.7000 0.6467 832.0568 831.8028 831.6730
N-DOD-01 1214.5000 0.1750 1214.5759 1214.5223 1214.4983
TOTAL FLOW:
LBMOL/HR 2.7341+04 1327.9123 2.1272+04 1.6277+04 1.4763+04
LB/HR 1.8877+06 5.9910+04 1.7211+06 1.5183+06 1.4479+06
CUFT/HR 2.1582+05 1766.0410 4.4062+04 3.7357+04 3.4976+04
STATE VARIABLES:
TEMP F 120.0000 100.0000 120.0000 96.0000 85.0000
PRES PSI 284.7000 814.7000 284.7000 63.7000 27.7000
VFRAC 0.3191 0.0 0.0 0.0 0.0
LFRAC 0.6809 1.0000 1.0000 1.0000 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:

27

BTU/LBMOL -9.0812+04 -8.1807+04 -9.0021+04 -9.2361+04 -9.5063+04
BTU/LB -1315.3024 -1813.2724 -1112.5881 -990.1566 -969.2754
BTU/HR -2.4829+09 -1.0863+08 -1.9149+09 -1.5033+09 -1.4035+09
ENTROPY:
BTU/LBMOL-R -102.5609 -59.6746 -131.6561 -160.4215 -171.0890
BTU/LB-R -1.4854 -1.3227 -1.6271 -1.7198 -1.7444
DENSITY:
LBMOL/CUFT 0.1266 0.7519 0.4827 0.4357 0.4221
LB/CUFT 8.7464 33.9231 39.0618 40.6431 41.3986
AVG MW 69.0427 45.1156 80.9113 93.2790 98.0761
V1 V2 V3 V4
-----------
STREAM ID V1 V2 V3 V4
FROM : F1 F2 F3 F4
TO : ---- F1 F2 F3
SUBSTREAM: MIXED
PHASE: VAPOR VAPOR VAPOR VAPOR
NITROGEN 358.1823 365.3929 22.8531 0.4790
CO2 4891.4779 5223.7206 1839.3587 235.3453
H2S 286.9707 323.4754 237.7394 58.0165
METHANE 2993.3523 3109.4945 443.2043 22.3418
ETHANE 2249.9775 2487.2597 1365.0663 259.3229
PROPANE 1270.4888 1546.2281 1587.5726 523.1608
ISOBU-01 142.1566 195.9392 239.2790 94.9836
N-BUT-01 255.4380 370.0255 458.2766 187.9059
2-MET-01 49.1434 86.4305 104.6024 44.5389
N-PEN-01 52.8281 97.7067 114.6249 48.5097
N-HEX-01 18.8826 54.6866 57.4472 23.8809
N-HEP-01 7.0393 32.0304 29.0488 11.5148
N-OCT-01 0.9946 8.6771 6.8003 2.5651
N-NON-01 0.1926 3.1645 2.1503 0.7715
N-DEC-01 2.6929-02 0.6736 0.3837 0.1297
N-DOD-01 1.6948-03 0.1767 7.7688-02 2.4046-02
TOTAL FLOW:
LBMOL/HR 1.2577+04 1.3905+04 6508.4859 1513.4910
LB/HR 4.3973+05 4.9964+05 2.7320+05 7.0356+04
CUFT/HR 6.5192+04 2.7614+05 5.8513+05 3.1096+05
STATE VARIABLES:
TEMP F 100.0000 120.0000 96.0000 85.0000
PRES PSI 814.7000 284.7000 63.7000 27.7000
VFRAC 1.0000 1.0000 1.0000 1.0000
LFRAC 0.0 0.0 0.0 0.0
SFRAC 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -8.8006+04 -8.5897+04 -7.7953+04 -6.5079+04
BTU/LB -2517.1525 -2390.5307 -1857.0901 -1399.9728
BTU/HR -1.1069+09 -1.1944+09 -5.0736+08 -9.8497+07
ENTROPY:
BTU/LBMOL-R -27.9154 -26.5798 -39.3918 -53.5736
BTU/LB-R -0.7984 -0.7397 -0.9384 -1.1524
DENSITY:
LBMOL/CUFT 0.1929 5.0355-02 1.1123-02 4.8671-03
LB/CUFT 6.7451 1.8093 0.4669 0.2262
AVG MW 34.9626 35.9322 41.9759 46.4861


28

Thermodynamics

HYSYS.Plant

The materials that support a course in thermodynamics have not yet been class-tested.
However, it is recommended that thermodynamics instructors consider allotting three hours of
computer laboratory time for the exercises. A self-paced approach using the multimedia allows
the students to bring themselves up-to-speed on the selection of property prediction methods,
and their applications in VLE calculations, and to perform chemical equilibrium calculations.
The following sequence of modules is recommended:

Session 1: Under HYSYS Physical Property Estimation Package selection, students are
provided with a guide to the correct selection of physical property methods, and
their impact on VLE calculations. It is recommended that students be assigned an
exercise that allows them to test the recommendations, which are implemented as
decision-trees (e.g., Exercise B.2).

Session 2: Under HYSYS Separators, the main menu refers to item 1, Flash. Students
should review the background material on K-value computations for VLE
computations and see the video of an industrial flash vessel. They will also find
helpful the section on the use of the HYSYS Separator, modeling the flash unit.


29

Session 3: Under HYSYS Chemical Reactors, the main menu refers to item 3, Setting up
Reactors. Students can review the modules on the Equilibrium Reactor, for
calculations involving the mass-action equations, and on the Gibbs Reactor for
calculations involving the direct minimization of the Gibbs free energy.

To reinforce their acquired capabilities, students should be assigned a homework exercise. Three
typical exercises are provided:
Exercise B.1 Refrigerator Design Problem
Exercise B.2 VLLE Problem
Exercise B.4 Chemical Equilibrium Problem


30

ASPEN PLUS

The materials that support a course in thermodynamics have not yet been class-tested.
However, it is recommended that thermodynamics instructors consider allotting four hours of
computer laboratory time for the exercises. A self-paced approach using the multimedia allows
the students to bring themselves up-to-speed on the use of a process simulator to carry out the
energy balances in a refrigerator, to perform VLE calculations, and to perform chemical
equilibrium calculations. The following sequence of modules is recommended:

Session 1: Under ASPEN Pumps & Compressors, the main menu refers to item 2,
Compressors and Expanders. Students should see the video of an industrial
compressor and review the module on ASPEN PLUS (COMPR, MCOMPR). Then,
under ASPEN PLUS Heat Exchangers, the main menu refers to item 2, Heat
Requirement Models. Students should review this module. For the refrigerator
process, the multimedia doesnt have a module on valves. Students can use the
ASPEN PLUS VALVE subroutine with little preparation.

Session 2: Under ASPEN Separators, the main menu refers to item 3, Phase Equil. and
Flash. Students should see the video of an industrial flash vessel and review the
two modules on FLASH 2 and FLASH 3.

In addition, under Physical Property Estimation, the main menu refers to item 3,
Property Estimation. Students can review the basis for VLE calculations in module
on Phase Equilibria, methods for using ASPEN PLUS to draw equilibrium

31

diagrams in the modules on Binary Phase Diagrams and Phase Envelopes, and
methods for regressing VLE data in the module Property Data Regression.

Session 3: Under ASPEN Reactors, the main menu refers to item 3, Equilibrium Reactors.
Students can review the modules on the Equilibrium Reactor (REQUIL), for
calculations involving the mass-action equations, and on the Gibbs Reactor
(RGIBBS) for calculations involving the direct minimization of the Gibbs free
energy.

To reinforce their acquired capabilities, students should be assigned a homework exercise. Five
typical exercises are provided:
Exercise B.3 VLE Data Regression Problem
Exercise B.5 Selection of an Environmentally-friendly Refrigerant


32


This is extension of Example 6.2 in Seider, Seader, and Lewin (1999), which involves a
refrigeration loop:

In this problem, it is desired to:

a. simulate the refrigeration cycle assuming that the compressor has an isentropic efficiency of
0.9. For the evaporator and condenser, do not simulate the heat exchangers. Instead, use
models that compute the heat required to be absorbed by the evaporating propane and to
be removed from the condensing propane. Use the Soave-Redlich-Kwong equation and a
propane flow rate of 5,400 lb/hr. Set the pressure levels as indicated above, but recognize
that the temperatures may differ due to the VLE model.

b. calculate the lost work and the thermodynamic efficiency for the refrigeration cycle.

HYSYS.Plant Solution ASPEN PLUS Solution

33


An equimolar stream of benzene, toluene, and water at 150 kgmole/hr, 100C, and 7 bar
enters a flash vessel. It is expanded to 0.5 bar and cooled to 60C. Use a process simulator with
the UNIFAC method, having liquid-liquid interaction coefficients, for estimating liquid-phase
activity coefficients to compute the flow rates and compositions of the three product streams.
Also, determine the heat added or removed. If using ASPEN PLUS, the FLASH3 subroutine and
the UNIF-LL property option are appropriate. If using HYSYS.Plant, use the 3-phase Separator,
and select the appropriate physical property method as guided by the multimedia.


34

Exercise B.3 VLE Data Regression Problem

The following vapor-liquid equilibrium data for ethanol and benzene at 1 atm have been
taken from the Gmehling and Onken data bank:
x y T,C

0 0 80.13
0.025 0.1303 76.29
0.05 0.2117 73.77
0.075 0.2654 72.09
0.1 0.3029 70.94
0.125 0.3304 70.12
0.15 0.3514 69.53
0.175 0.3681 69.08
0.2 0.3818 68.75
0.225 0.3933 68.49
0.25 0.4033 68.28
0.275 0.4121 68.12
0.3 0.4201 68.00
0.325 0.4274 67.90
0.35 0.4343 67.82
0.375 0.4408 67.76
0.4 0.4472 67.72
0.425 0.4534 67.69
0.45 0.4596 67.68
0.475 0.4659 67.68
0.5 0.4724 67.69
0.525 0.4791 67.72
0.55 0.4860 67.77
0.575 0.4935 67.82
0.6 0.5015 67.90
0.625 0.5101 68.00
0.65 0.5195 68.13
0.675 0.5298 68.28
0.7 0.5413 68.47
0.725 0.5542 68.69
0.75 0.5689 68.97
0.775 0.5856 69.30
0.8 0.6049 69.70
0.825 0.6273 70.19
0.85 0.6539 70.78
0.875 0.6855 71.49
0.9 0.7238 72.36
0.925 0.7707 73.41
0.95 0.8293 74.72
0.975 0.9036 76.32
1 1 78.31

35

For the design of a distillation column to produce nearly pure ethanol, it is desired to obtain a
close match between the computed VLE and the Gmehling and Onken data.

a. Use the binary interaction coefficients for the UNIQUAC equation for liquid-phase
interaction coefficients, in the data bank of a process simulator, to prepare T-x-y and x-y
diagrams.

b. Use data points having ethanol mole fractions above its azeotropic mole fraction with a
regression program in a process simulator. Determine interaction coefficients that give
better agreement with the Gmehling and Onken data at high ethanol concentrations. Show
how the T-x-y and x-y diagrams compare using these data points.

ASPEN PLUS Solution


An equimolar stream of ammonia, oxygen, nitrogen oxide (NO), nitrogen dioxide (NO
2
),
and water at 100 lbmole/hr, 300F, and 1 atm enters a tank reactor. Determine the flow rate and
composition of the reactor effluent, assuming that chemical equilibrium is attained. Use a
process simulator, assuming that the ideal gas law applies.

a. Determine the number of independent reactions. Then, determine a set of independent
reactions.

b. Obtain chemical equilibrium by solving the mass-action equations (using K-values). If
using ASPEN PLUS, the REQUIL subroutine is appropriate.

c. Obtain chemical equilibrium by minimizing the Gibbs free energy. Note that it is not
necessary to specify an independent reaction set. If using ASPEN PLUS, the RGIBBS
subroutine is appropriate.

ASPEN PLUS Solution

Exercise B.5 Selection of an Environmentally-friendly Refrigerant

It is desired to find a refrigerant that removes heat at -20C and rejects heat at 32C.
Desirable refrigerants should have P
s
{-20C} > 1.4 bar, P
s
{32C} < 14 bar,
H
v
{-20C} > 18.4 kJ/mol, and c
pl
{6C} > 18.4 kJ/mol. For the candidate groups, CH
3
, CH, F,
and S, formulate a mixed-integer nonlinear program and use GAMS to solve it. Hint: maximize
the objective function, H
v
{-20C}.

36

Exercise B.1 Solution using HYSYS.Plant

Refrigerator Design Problem Solution

a. Solution using HYSYS.Plant. This solution can be reproduced using the file, REFRIG.HSC.

HYSYS.Plant Report.

Fluid Package: Basis-1 Property Package: SRK

Material Stream: S-1 Overall Vapour Phase Liquid Phase
Vapour / Phase Fraction 1 1 0
Temperature: (F) 8.44E-02 8.44E-02 8.44E-02
Pressure: (psia) 38.37 38.37 38.37
Molar Flow (lbmole/hr) 122.5 122.5 0
Mass Flow (lb/hr) 5400 5400 0
Liquid Volume Flow (barrel/day) 729.8 729.8 0
Molar Enthalpy (Btu/lbmole) -4.61E+04 -4.61E+04 -5.38E+04
Molar Entropy (Btu/lbmole-F) 33.92 33.92 17.21
Heat Flow (Btu/hr) -5.65E+06 -5.65E+06 0

Material Stream: S-2 Overall Vapour Phase
Vapour / Phase Fraction 1 1
Temperature: (F) 118.7 118.7
Pressure: (psia) 187 187
Molar Flow (lbmole/hr) 122.5 122.5
Mass Flow (lb/hr) 5400 5400
Liquid Volume Flow (barrel/day) 729.8 729.8
Molar Enthalpy (Btu/lbmole) -4.45E+04 -4.45E+04
Molar Entropy (Btu/lbmole-F) 34.23 34.23
Heat Flow (Btu/hr) -5.45E+06 -5.45E+06

Material Stream: S-3 Overall Liquid Phase Vapour Phase
Vapour / Phase Fraction 0 1 0

37

Temperature: (F) 97.52 97.52 97.52
Pressure: (psia) 185 185 185

Material Stream: S-4 Overall Vapour Phase Liquid Phase
Vapour / Phase Fraction 0.3596 0.3596 0.6404
Temperature: (F) 2.193 2.193 2.193
Molar Flow (lbmole/hr) 122.5 44.03 78.42
Mass Flow (lb/hr) 5400 1942 3458
Liquid Volume Flow (barrel/day) 729.8 262.4 467.3
Heat Flow (Btu/hr) -6.25E+06 -2.03E+06 -4.22E+06

Cooler: E-100
Pressure Drop: 2.000 psi Duty: 7.920e+005 Btu/hr Volume: 3.531 ft3
Heater: E-101
PARAMETERS
Pressure Drop: 1.630 psi Duty: 5.970e+005 Btu/hr Volume: 3.531 ft3
Compressor: K-100
Duty: 1.9503e+05 Btu/hr Adiabatic Eff.: 89.00 PolyTropic Eff.: 90.21
Speed: Adiabatic Head: 2.501e+004 ft Polytropic Head: 2.535e+004 ft
Polytropic Exp. 1.063 Isentropic Exp. 1.044 Poly Head Factor 1.015
User Variables
Valve: VLV-100
Pressure Drop: 145.0 psi

b. Lost work (see Eq. (6.23), Seider, Seader, Lewin (1999)):

Evap
Evaporator
in
Q
T
T
W LW

+ =
0
1
= 70 kW + (1 537/470)176.3 kW = 70 25.1 = 44.9 kW

Thermodynamic efficiency (see Eq. (6.27), Seider, Seader, Lewin (1999)):

LW goal main
goal main
goal
=
) (
359 . 0
9 . 44 1 . 25
1 . 25
=

=
See SSL for calculations of the lost work in each process unit. Also, see Example 6.3 in
which the valve is replaced by a power recovery turbine.


38

Exercise B.1 Solution using ASPEN.PLUS

a. Solution using ASPEN PLUS. This solution can be reproduced using the file,
REFRIG.BKP.
EVAP1
COND1
C1
V1
S1
S2
S3 S4

ASPEN PLUS Program

TITLE 'PROPANE REFRIGERATION LOOP'
IN-UNITS ENG
DESCRIPTION "
General Simulation with English Units :
Property Method: None
Flow basis for input: Mole
Stream report composition: Mole flow
"
NOASPENPCD
COMPONENTS
PROPANE C3H8
FLOWSHEET
BLOCK EVAP1 IN=S4 OUT=S1
BLOCK COND1 IN=S2 OUT=S3
BLOCK C1 IN=S1 OUT=S2
BLOCK V1 IN=S3 OUT=S4
PROPERTIES RK-SOAVE
STREAM S3
SUBSTREAM MIXED PRES=185. VFRAC=0. MASS-FLOW=5400.
MOLE-FRAC PROPANE 1.
BLOCK COND1 HEATER
PARAM PRES=185. VFRAC=0.
BLOCK EVAP1 HEATER
PARAM PRES=38.37 VFRAC=1.
BLOCK C1 COMPR
PARAM TYPE=ISENTROPIC PRES=187. SEFF=0.9
BLOCK V1 VALVE
PARAM P-OUT=40.
EO-CONV-OPTI
STREAM-REPOR MOLEFLOW
Stream Variables

S1 S2 S3 S4
-----------

39

STREAM ID S1 S2 S3 S4
FROM : EVAP1 C1 COND1 V1
TO : C1 COND1 V1 EVAP1
MAX CONV. ERROR: 0.0 0.0 -8.8208-08 0.0
SUBSTREAM: MIXED
PHASE: VAPOR VAPOR LIQUID MIXED
PROPANE 122.4586 122.4586 122.4586 122.4586
TOTAL FLOW:
LBMOL/HR 122.4586 122.4586 122.4586 122.4586
LB/HR 5400.0000 5400.0000 5400.0000 5400.0000
CUFT/HR 1.4709+04 3328.3100 182.1782 5122.5994
STATE VARIABLES:
TEMP F 0.1348 120.1738 97.5639 2.2450
PRES PSI 38.3700 187.0000 185.0000 40.0000
VFRAC 1.0000 1.0000 0.0 0.3551
LFRAC 0.0 0.0 1.0000 0.6449
SFRAC 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -4.6438+04 -4.4857+04 -5.1349+04 -5.1349+04
BTU/LB -1053.0957 -1017.2552 -1164.4737 -1164.4737
BTU/HR -5.6867+06 -5.4932+06 -6.2882+06 -6.2882+06
ENTROPY:
BTU/LBMOL-R -69.0042 -68.7299 -80.3461 -79.7139
BTU/LB-R -1.5648 -1.5586 -1.8221 -1.8077
DENSITY:
LBMOL/CUFT 8.3256-03 3.6793-02 0.6722 2.3906-02
LB/CUFT 0.3671 1.6224 29.6413 1.0542
AVG MW 44.0965 44.0965 44.0965 44.0965
BLOCK: C1 MODEL: COMPR
-----------------------------
*** RESULTS ***
INDICATED HORSEPOWER REQUIREMENT HP 76.0637
BRAKE HORSEPOWER REQUIREMENT HP 76.0637
NET WORK REQUIRED HP 76.0637
ISENTROPIC HORSEPOWER REQUIREMENT HP 68.4573
CALCULATED OUTLET TEMP F 120.174
ISENTROPIC TEMPERATURE F 112.749
EFFICIENCY (POLYTR/ISENTR) USED 0.90000
HEAD DEVELOPED, FT-LBF/LB 25,101.0
MECHANICAL EFFICIENCY USED 1.00000
INLET HEAT CAPACITY RATIO 1.14081
INLET VOLUMETRIC FLOW RATE , CUFT/HR 14,708.6
OUTLET VOLUMETRIC FLOW RATE, CUFT/HR 3,328.31
INLET COMPRESSIBILITY FACTOR 0.93399
OUTLET COMPRESSIBILITY FACTOR 0.81679
AV. ISENT. VOL. EXPONENT 1.04889
AV. ISENT. TEMP EXPONENT 1.16052
AV. ACTUAL VOL. EXPONENT 1.06586
AV. ACTUAL TEMP EXPONENT 1.17158

40

BLOCK: COND1 MODEL: HEATER
------------------------------
*** RESULTS ***
BLOCK: EVAP1 MODEL: HEATER
------------------------------
*** RESULTS ***
HEAT DUTY BTU/HR 0.60144E+06
BLOCK: V1 MODEL: VALVE
-----------------------------
*** RESULTS ***
VALVE PRESSURE DROP PSI 145.000

b. Lost work (see Eq. (6.23), Seider, Seader, Lewin (1999)):

Evap
Evaporator
in
Q
T
T
W LW

+ =
0
1

= 70 kW + (1 537/470)176.3 kW
= 70 25.1 = 44.9 kW

Thermodynamic efficiency (see Eq. (6.27), Seider, Seader, Lewin (1999)):

LW goal main
goal main
goal
=
) (

359 . 0
9 . 44 1 . 25
1 . 25
=

=
See SSL for calculations of the lost work in each process unit. Also, see Example 6.3 in
which the valve is replaced by a power recovery turbine.


41

Exercise B.2 Solution using HYSYS.Plant

Solution using 3-phase Separator in HYSYS.Plant. This solution can be reproduced using the
file, VLLE.HSC. Note that the physical properties are predicted using the NRTL activity
method, with UNIFAC-LL binary interaction coefficients, and assuming ideal vapor, as
recommended by both Eric Carlson and Bob Seader (Both indicate that the UNIFAC LL
estimation method is appropriate). The option to check for the possibility of two liquid phases
should be activated.

NAME FEED VAP LIQ1 LIQ2 SEP-DUTY
Vapor Fraction 0 1 0 0
Temperature [C] 100 60 60 60
Pressure [bar] 7 0.5 0.5 0.5
Molar Flow [kgmol/h] 150 106.929 35.82939 7.241573
Mass Flow [kgl/h] 9413.295 6158.99 3123.628 130.6777
Liquid Volume Flow [m3/h] 10.6248 6.918751 3.575073 0.13098
Heat Flow [kcal/h] -2318423 -1321315 249418 -488242 758284.7
Molar Enthalpy [kcal/kgmol] -15456.2 -12356.9 6961.269 -67422
Comp Molar Flow (Benzene) [kgmol/h] 50 38.05983 11.93832 1.85E-03
Comp Molar Flow (Toluene) [kgmol/h] 50 26.2453 23.75324 1.47E-03
Comp Molar Flow (Water) [kgmol/h] 50 42.62391 0.137836 7.238254

In the above table, values in blue are the process specifications, with the remaining values being
computed results. Note that the organic liquid product is LIQ1 and the aqueous liquid product is
LIQ2. To satisfy the energy balance, HYSYS.Plant computes 0.758 MMKcal/hr are added to the
flash vessel.

42


Solution using the FLASH3 subroutine in ASPEN PLUS. This solution can be reproduced using
the file, VLLE.BKP.
FEED
VAP
LIQ1
LIQ2
F1

ASPEN PLUS Program

TITLE 'VLLE - BENZENE, TOLUENE, WATER'
IN-UNITS MET VOLUME-FLOW='cum/hr' ENTHALPY-FLO='MMkcal/hr' &
HEAT-TRANS-C='kcal/hr-sqm-K' PRESSURE=bar TEMPERATURE=C &
VOLUME=cum DELTA-T=C HEAD=meter MOLE-DENSITY='kmol/cum' &
MASS-DENSITY='kg/cum' MOLE-ENTHALP='kcal/mol' &
MASS-ENTHALP='kcal/kg' HEAT=MMkcal MOLE-CONC='mol/l' &
PDROP=bar
SIM-OPTIONS NPHASE=3
DESCRIPTION "
General Simulation with Metric Units :
C, bar, kg/hr, kmol/hr, MMKcal/hr, cum/hr.
NOASPENPCD
COMPONENTS
BENZENE C6H6 /
TOLUENE C7H8 /
WATER H2O
FLOWSHEET
BLOCK F1 IN=FEED OUT=VAP LIQ1 LIQ2
PROPERTIES UNIF-LL
PROPERTIES IDEAL / UNIFAC
STREAM FEED
SUBSTREAM MIXED TEMP=100. PRES=7. MOLE-FLOW=150.
MOLE-FLOW BENZENE 50. / TOLUENE 50. / WATER 50.
BLOCK F1 FLASH3


43

Stream Variables

FEED LIQ1 LIQ2 VAP
------------------
STREAM ID FEED LIQ1 LIQ2 VAP
FROM : ---- F1 F1 F1
TO : F1 ---- ---- ----
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID VAPOR
COMPONENTS: KMOL/HR
BENZENE 50.0000 14.3925 2.0372-03 35.6055
TOLUENE 50.0000 26.3020 1.3751-03 23.6966
WATER 50.0000 0.1748 10.4077 39.4175
TOTAL FLOW:
KMOL/HR 150.0000 40.8693 10.4111 98.7197
KG/HR 9413.4720 3550.8775 187.7831 5674.8114
CUM/HR 11.7432 4.2699 0.1958 5408.5900
STATE VARIABLES:
TEMP C 100.0000 60.0000 60.0000 60.0000
PRES BAR 7.0000 0.5000 0.5000 0.5000
VFRAC 0.0 0.0 0.0 1.0000
LFRAC 1.0000 1.0000 1.0000 0.0
SFRAC 0.0 0.0 0.0 0.0
ENTHALPY:
KCAL/MOL -15.5331 6.9826 -67.6121 -12.4644
KCAL/KG -247.5143 80.3676 -3748.5570 -216.8315
MMKCAL/HR -2.3300 0.2854 -0.7039 -1.2305
ENTROPY:
CAL/MOL-K -52.4388 -68.6094 -36.9819 -26.1730
CAL/GM-K -0.8356 -0.7897 -2.0504 -0.4553
DENSITY:
KMOL/CUM 12.7734 9.5715 53.1678 1.8252-02
KG/CUM 801.6136 831.6121 958.9778 1.0492
AVG MW 62.7565 86.8838 18.0368 57.4841
Note that the stream LIQ1 contains the organic phase and the stream LIQ2 contains the aqueous
phase.


------------------------------
PROPERTY OPTION SET: UNIF-LL UNIFAC / REDLICH-KWONG
*** RESULTS ***
OUTLET TEMPERATURE C 60.000
OUTLET PRESSURE BAR 0.50000
HEAT DUTY MMKCAL/HR 0.68096
1ST LIQUID/TOTAL LIQUID 0.79698
V-L1-L2 PHASE EQUILIBRIUM :
COMP F(I) X1(I) X2(I) Y(I) K1(I) K2(I)
BENZENE 0.333 0.352 0.196E-03 0.361 1.02 0.184E+04
TOLUENE 0.333 0.644 0.132E-03 0.240 0.373 0.182E+04
WATER 0.333 0.428E-02 1.00 0.399 93.4 0.399
To satisfy the energy balance, 0.681 MMKcal/hr are added to the flash vessel.

44


Solution obtained using ASPEN PLUS with the UNIQUAC method for estimating liquid-phase
activity coefficients. Results can be reproduced using the file, VLEREG.BKP.

a. From the ASPEN PLUS data banks, the following binary interaction
coefficients are used:

a
ij
= -0.464, a
ji
= 0.4665, b
ij
= 137.8, b
ji
= -1,001.7

Using these interaction coefficients, T-x-y and x-y graphs are prepared.

b. Using the data points for ethanol concentrations greater than or equal to 0.6
from the Gmehling and Onken data bank, the binary interaction coefficients
are adjusted by the ASPEN PLUS data regression program to:

a
ij
= -0.464, a
ji
= 0.4665, b
ij
= 14.96, b
ji
= -441.7

In this case, just small changes are observed in the T-x-y and x-y diagrams.


45

Exercise B.4 Solution using ASPEN PLUS

Chemical Equilibrium Problem Solution

a. N
C
= 5, R = rank of atom matrix = 3. Hence, N
R
= no. of independent
chemical reactions = N
C
R = 5 3 = 2. For the atom matrix, see the solution
to part c.

b. Solution using the REQUIL subroutine in ASPEN PLUS. This solution can be
reproduced using the file, REQUIL.BKP.
FEED
VAP
LIQ
R1

Note that when using the REQUIL subroutine, streams for both vapor and
liquid effluents must be defined, even when one doesnt exist.

The two independent reactions are selected arbitrarily:

NO + 1/2O
2
= NO
2

4NH
3
+ 5O
2
= 4NO + 6H
2
O

ASPEN PLUS Program

TITLE 'CHEMICAL EQUILIBRIUM - K-VALUES'
IN-UNITS ENG
NOASPENPCD
COMPONENTS
AMMON-01 H3N /
OXYGE-01 O2 /
NITRI-01 NO /
NITRO-01 NO2 /
WATER H2O
FLOWSHEET
BLOCK R1 IN=FEED OUT=VAP LIQ
PROPERTIES IDEAL
STREAM FEED
SUBSTREAM MIXED TEMP=300. PRES=1. <atm> MOLE-FLOW=100.
MOLE-FRAC AMMON-01 0.2 / OXYGE-01 0.2 / NITRI-01 0.2 / &
NITRO-01 0.2 / WATER 0.2
BLOCK R1 REQUIL
PARAM NREAC=2 TEMP=300. PRES=1. <atm> NPHASE=2
STOIC 1 NITRI-01 -1. * / OXYGE-01 -0.5 * / NITRO-01 1. &
*
STOIC 2 AMMON-01 -4. * / OXYGE-01 -5. * / NITRI-01 4. &
* / WATER 6. *
TAPP-SPEC 1 0.0 / 2 0.0

46

Stream Variables

FEED LIQ VAP
------------
STREAM ID FEED LIQ VAP
FROM : ---- R1 R1
TO : R1 ---- ----
SUBSTREAM: MIXED
PHASE: VAPOR MISSING VAPOR
AMMON-01 20.0000 0.0 0.0
OXYGE-01 20.0000 0.0 1.5913-06
NITRI-01 20.0000 0.0 50.0042
NITRO-01 20.0000 0.0 10.0027
WATER 20.0000 0.0 50.0042
TOTAL FLOW:
LBMOL/HR 100.0000 0.0 110.0111
LB/HR 2861.1264 0.0 2861.4532
CUFT/HR 5.5473+04 0.0 6.1027+04
STATE VARIABLES:
TEMP F 300.0000 MISSING 300.0000
PRES PSI 14.6959 14.6959 14.6959
VFRAC 1.0000 MISSING 1.0000
LFRAC 0.0 MISSING 0.0
SFRAC 0.0 MISSING 0.0
ENTHALPY:
BTU/LBMOL -1.2315+04 MISSING -2.6587+04
BTU/LB -430.4089 MISSING -1022.1591
BTU/HR -1.2315+06 MISSING -2.9249+06
ENTROPY:
BTU/LBMOL-R -3.1492 MISSING -0.2405
BTU/LB-R -0.1101 MISSING -9.2445-03
DENSITY:
LBMOL/CUFT 1.8027-03 MISSING 1.8027-03
LB/CUFT 5.1577-02 MISSING 4.6888-02
AVG MW 28.6113 MISSING 26.0106


*** RESULTS ***
OUTPUT TEMPERATURE F 300.00
OUTPUT PRESSURE PSI 14.696
REACTION EQUILIBRIUM CONSTANTS:
REACTION EQUILIBRIUM
NUMBER CONSTANT
1 1663.3
2 0.99999+100
3
c. Solution using the RGIBBS subroutine in ASPEN PLUS. This solution can be reproduced
using the file, RGIBBS.BKP.


47

FEED
VAP
LIQ
R1

Note that when using the REQUIL subroutine, streams for both vapor and
liquid effluents must be defined, even when one doesnt exist.

ASPEN PLUS Program only those paragraphs that differ from the program
above are included.

TITLE 'CHEMICAL EQUILIBRIUM - MINIMIZATION OF G'
BLOCK R1 RGIBBS
PARAM TEMP=300. PRES=1. <atm>
Stream Variables

FEED LIQ VAP
------------
STREAM ID FEED LIQ VAP
FROM : ---- R1 R1
TO : R1 ---- ----
SUBSTREAM: MIXED
PHASE: VAPOR MISSING VAPOR
AMMON-01 20.0000 0.0 0.0
OXYGEN 20.0000 0.0 1.5905-06
NITRO-01 20.0000 0.0 10.0000
NITRI-01 20.0000 0.0 50.0000
WATER 20.0000 0.0 50.0000
TOTAL FLOW:
LBMOL/HR 100.0000 0.0 110.0000
LB/HR 2861.1264 0.0 2861.1264
CUFT/HR 5.5473+04 0.0 6.1021+04
STATE VARIABLES:
TEMP F 300.0000 MISSING 300.0000
PRES PSI 14.6959 MISSING 14.6959
VFRAC 1.0000 MISSING 1.0000
LFRAC 0.0 MISSING 0.0
SFRAC 0.0 MISSING 0.0
ENTHALPY:
BTU/LBMOL -1.2315+04 MISSING -2.6588+04
BTU/LB -430.4089 MISSING -1022.2009
BTU/HR -1.2315+06 MISSING -2.9246+06
ENTROPY:
BTU/LBMOL-R -3.1492 MISSING -0.2403
BTU/LB-R -0.1101 MISSING -9.2405-03
DENSITY:
LBMOL/CUFT 1.8027-03 MISSING 1.8027-03
LB/CUFT 5.1577-02 MISSING 4.6888-02
AVG MW 28.6113 MISSING 26.0102
Note that these results are nearly identical to those for part a. Tight convergence
tolerances are satisfied by the RGIBBS subroutine, while small material balance
differences between the inlet and outlet streams are reported by the REQUIL
subroutine.

48


FLUID PHASE SPECIES IN PRODUCT LIST:
AMMON-01 OXYGEN NITRO-01 NITRI-01 WATER
ATOM MATRIX:
ELEMENT H N O
AMMON-01 3.00 1.00 0.00
OXYGEN 0.00 0.00 2.00
NITRO-01 0.00 1.00 2.00
NITRI-01 0.00 1.00 1.00
WATER 2.00 0.00 1.00
*** RESULTS ***
TEMPERATURE F 300.00
PRESSURE PSI 14.696
NUMBER OF FLUID PHASES 1
FLUID PHASE MOLE FRACTIONS:
PHASE VAPOR
OF TYPE VAPOR
PHASE FRACTION 1.000000
PLACED IN STREAM VAP
AMMON-01 0.0000000E+00
OXYGEN 0.1445920E-07
NITRI-01 0.4545455
WATER 0.4545454

49

Heat Transfer

HYSYS.Plant

The materials supporting a course in heat transfer assume that two hours of computer
laboratory time is allocated to the exercises. The multimedia includes a section that provides a
self-paced overview on heat transfer equipment in general and the models available in
HYSYS.Plant in particular. The following sequence is suggested:

Session 1: In the first part of the exercise session, the student should review the entire section
on HYSYS Heat Exchangers in the multimedia. This consists of modules
describing the simple heater/cooler and the more rigorous heat exchanger. The
modules each illustrate the use of the models in example applications.

Session 2: The tutorial Toluene Manufacture should be reviewed, while at the same time, the
student should develop his/her version of the simulation using HYSYS.Plant.

To reinforce their acquired capabilities, students should be assigned a homework exercise. Two
typical exercises are provided: (a) The rating of a 2-8 heat exchanger for process heat transfer;
(b) Completing the Toluene Manufacture heat-integrated process to determine the optimum pre-
heat temperature.

50

Heat Transfer

ASPEN PLUS

The materials supporting a course in heat transfer assume that two hours of computer
self-paced overview on heat transfer equipment in general and the models available in ASPEN
PLUS in particular. The following sequence is suggested. Note that this sequence has not been
class-tested using ASPEN PLUS. However, a similar sequence using HYSYS.Plant, on the
previous page, has been class-tested successfully:

Session 1: In the first part of the exercise session, the student should review the first three
sections on Heat Exchangers in the multimedia (1. Introduction with Videos, 2. Heat
Requirement Modules, and 3. Shell-and-Tube Heat Exchangers.) These consist of
modules describing the simple heater/cooler and the more rigorous heat exchanger.
The modules each illustrate the use of the models in example applications. Note that
videos are provided of industrial 1-2 shell-and-tube heat exchangers and fin-fan heat
exchangers.

Session 2: The student should review the tutorial involving Toluene Manufacture, while at the
same time, develop his/her version of the simulation using ASPEN PLUS.

To reinforce their acquired capabilities, students should be assigned a homework exercise. Two
typical exercises are provided: (a) The rating of a 2-8 heat exchanger for process heat transfer;
(b) Completing the Toluene Manufacture heat-integrated process to determine the optimum pre-
heat temperature.

51

Exercise C.1 Heat Exchanger Rating Problem
An existing 2-8 shell-and-tube heat exchanger is to be used to transfer heat to a toluene
feed stream from a styrene product stream. The toluene enters the exchanger on the tube side at a
flow rate of 125,000 lb/hr at 100
o
F and 90 psia. The styrene enters on the shell side at a flow rate
of 150,000 lb/hr at 300
o
F and 50 psia. The exchanger shell and tubes are carbon steel. The shell
has an inside diameter of 39 in. and contains 1,024 3/4-in., 14 BWG, 16-ft-long tubes on a 1-in.
square pitch. Thirty-eight segmental baffles are used with a baffle cut of 25%. Shell inlet and
outlet nozzles are 2.5-in., schedule 40 pipe, and tube-side inlet and outlet nozzles are 4-in.,
schedule 40 pipe. Fouling factors are estimated to be 0.002 (hr-ft
2
-
o
F)/Btu on each side.
Determine the exit temperatures of the two streams, the heat duty, and the pressure drops. In
ASPEN PLUS, use the HEATX subroutine, and in HYSYS.Plant, use Heat Exchanger. Note
that this problem is solved in Example 8.7 of Seider, Seader, and Lewin (1999).


Exercise C.2 Heat Exchanger Design Problem

Complete the class exercise in which a heat integrated process was developed for the
manufacture of toluene from n-heptane. You are required to determine the optimum pre-heat
temperature to minimize the annual cost, involving both the cost of the preheater and the energy
costs associated with preheating the feed stream. The following data is provided:
U = 65 Btu/h ft
2
F (assumed constant)
Cost of Super-heater Fuel = 0.02 $/Btu h
-1
y
-1

Bare Modules Cost (for kettle reboiler), in $:
[ ] [ ]
{ }
2
exp 11.967 0.8709 ln( ) 0.09005 ln( )
B
C A A = + ,
where A is the exchanger surface area in ft
2
. The annualized equipment cost, assuming 20%
depreciation, is C
A
= 1.054.8C
B
/5

It is suggested that you use the Spreadsheet to compute the annual costs based on the
above data and the Databook to carry out a sensitivity analysis to show the effect of preheat
temperature on annual cost. Your solution should include the following:
a) A plot showing the annual cost as a function of the super-heater feed temperature. What is
the maximum possible temperature attainable?
b) A definition of the optimal value of the super-heater feed temperature, optimal pre-heater
heat exchange area, and the corresponding annual cost.
c) Comparison of the optimal annual cost incurred with that of the cases where (a) no
preheater installed; (b) a preheater is installed to bring the n-heptane to its dew point.



52

Exercise C.1 Solution using HYSYS.Plant

These results can be reproduced using the file HEATEX.hsc

The heat exchanger in HYSYS.Plant is used to make the calculations. In its rating mode,
it uses built-in correlations of the type described in Chapter 8 (Seider, Seader, and Lewin) for
estimating shell-side and tube-side heat-transfer coefficients and pressure drops. The following
results are obtained (both streams are liquid):
Toluene exit temperature = 252.6
o
F
Styrene exit temperature = 179.3
o
F
Tube-side pressure drop = 0.02 psi (this is well-below expected)
Toluene exit pressure = 89.98 psia
Shell-side pressure drop = 0.716 psia (this is well-below expected)
Styrene exit pressure = 54.28 psia
Heat-transfer area (tube outside) = Two shells, with 1,608 ft
2
per shell.
Heat duty = 8.7010
6
Btu/hr
Estimated shell-side film coefficient =110.3 Btu/hr-ft
2
-R
Estimated tube-side film coefficient = 393.7Btu/hr-ft
2
-R
Estimated overall heat transfer coefficient = 58.1 Btu/hr-ft
2
-R
Log-mean temperature difference based on countercurrent flow = 46.5
o
F
Correction factor for 2-8 exchanger, F
T
= 0.750


53

Exercise C.1 Solution using ASPEN.PLUS

The HEATX subroutine (block) of the ASPEN PLUS simulator is used to make the
calculations. It has built-in correlations of the type described in Chapter 8 (Seider, Seader, and
Lewin) for estimating shell-side and tube-side heat-transfer coefficients and pressure drops. The
following results are obtained (both streams are liquid):
Toluene exit temperature = 255.0
o
F
Styrene exit temperature = 178.1
o
F
Tube-side tube pressure drop = 3.59 psi
Tube-side nozzle pressure drop = 0.55 psi
Toluene exit pressure = 85.86 psia
Shell-side baffled pressure drop = 4.55 psia
Shell-side nozzle pressure drop = 5.18 psia
Styrene exit pressure = 40.28 psia
Heat-transfer area (tube outside) = 3,217 ft
2

Heat duty = 8,625,200 Btu/hr
Estimated (U
o
) clean = 90.4 Btu/hr-ft
2
-R
Estimated (U
o
) dirty = 64.0 Btu/hr-ft
2
-R
Log-mean temperature difference based on countercurrent flow = 41.9
o
F
Correction factor for 2-8 exchanger, F
T
= 0.712
Velocity in the tubes = 3.02 ft/s
Maximum Reynolds number in the tubes = 45,700
Crossflow velocity in the shell = 2.59 ft/s
Maximum crossflow Reynolds number in the shell = 50,300
Flow regime on tube and shell sides = turbulent

ASPEN PLUS Program
TITLE 'HEAT EXCHANGER DESIGN - EXAMPLE 13.7 (OLD 8.7)'
IN-UNITS ENG
DESCRIPTION "

54

NOASPENPCD
COMPONENTS
TOLUENE C7H8 /
STYRENE C8H8
FLOWSHEET
BLOCK H1 IN=HOTIN COLDIN OUT=HOTOUT COLDOUT
PROPERTIES RK-SOAVE
PROPERTIES BWR-LS / BWRS / CHAO-SEA / IDEAL / LK-PLOCK /
PENG-ROB
STREAM COLDIN
SUBSTREAM MIXED TEMP=100. PRES=90. MASS-FLOW=125000. &
FREE-WATER=NO NPHASE=2 PHASE=V
MOLE-FRAC TOLUENE 1. / STYRENE 0.
STREAM HOTIN
SUBSTREAM MIXED TEMP=300. PRES=50. MASS-FLOW=150000.
MOLE-FRAC TOLUENE 0. / STYRENE 1.
BLOCK H1 HEATX
PARAM CALC-TYPE=SIMULATION AREA=3217. TYPE=COUNTERCURRE &
NPOINTS=5 P-UPDATE=YES U-OPTION=FILM-COEF &
F-OPTION=GEOMETRY CALC-METHOD=DETAILED FC-USE-AVTD=YES
FEEDS HOT=HOTIN COLD=COLDIN
PRODUCTS HOT=HOTOUT COLD=COLDOUT
HEAT-TR-COEF SCALE=1.
FLASH-SPECS HOTOUT NPHASE=1 PHASE=L FREE-WATER=NO
FLASH-SPECS COLDOUT NPHASE=1 PHASE=L FREE-WATER=NO
EQUIP-SPECS TUBE-NPASS=8 TEMA-TYPE=F SHELL-DIAM=39. <in> &
SHELL-BND-SP=0.25 <in>
TUBES TOTAL-NUMBER=1024 PATTERN=SQUARE LENGTH=16. &
INSIDE-DIAM=0.584 <in> OUTSIDE-DIAM=0.75 <in> PITCH=1. <in> &
TCOND=25.
NOZZLES SNOZ-INDIAM=2.469 <in> SNOZ-OUTDIAM=2.469 <in> &
TNOZ-INDIAM=4.026 <in> TNOZ-OUTDIAM=4.026 <in>
SEGB-SHELL NBAFFLE=38 NSEAL-STRIP=1 BAFFLE-CUT=0.25 &
SHELL-BFL-SP=0.1 <in> TUBE-BFL-SP=0.1 <in> IN-BFL-SP=0.6 &
OUT-BFL-SP=0.6
HOT-HCURVE 1 NPOINT=20
COLD-HCURVE 1 NPOINT=20
HOT-SIDE H-OPTION=GEOMETRY H-SCALE=1. FOUL-FACTOR=0.002 &
SHELL-TUBE=SHELL DP-OPTION=GEOMETRY
COLD-SIDE H-OPTION=GEOMETRY H-SCALE=1. FOUL-FACTOR=0.002 &
DP-OPTION=GEOMETRY
REPORT PROFILE
EO-CONV-OPTI
------------------------------------------------------------------------
Stream Variables

55

COLDIN COLDOUT HOTIN HOTOUT
---------------------------
STREAM ID COLDIN COLDOUT HOTIN HOTOUT
FROM : ---- H1 ---- H1
TO : H1 ---- H1 ----
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID LIQUID
TOLUENE 1356.6236 1356.6236 0.0 0.0
STYRENE 0.0 0.0 1440.2094 1440.2094
TOTAL FLOW:
LBMOL/HR 1356.6236 1356.6236 1440.2094 1440.2094
LB/HR 1.2500+05 1.2500+05 1.5000+05 1.5000+05
CUFT/HR 2353.1302 2618.0856 3140.9333 2899.5818
STATE VARIABLES:
TEMP F 100.0000 254.9779 300.0000 178.1253
PRES PSI 90.0000 85.8741 50.0000 40.2773
VFRAC 0.0 0.0 0.0 0.0
LFRAC 1.0000 1.0000 1.0000 1.0000
SFRAC 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL 6023.3178 1.2381+04 5.4993+04 4.9004+04
BTU/LB 65.3710 134.3724 528.0063 470.5051
BTU/HR 8.1714+06 1.6797+07 7.9201+07 7.0576+07
ENTROPY:
BTU/LBMOL-R -80.0905 -70.1012 -62.6490 -71.2187
BTU/LB-R -0.8692 -0.7608 -0.6015 -0.6838
DENSITY:
LBMOL/CUFT 0.5765 0.5182 0.4585 0.4967
LB/CUFT 53.1207 47.7448 47.7565 51.7316
AVG MW 92.1405 92.1405 104.1515 104.1515


BLOCK: H1 MODEL: HEATX
-----------------------------
FLOW DIRECTION AND SPECIFICATION:
COUNTERCURRENT HEAT EXCHANGER
SPECIFIED EXCHANGER AREA
SPECIFIED VALUE SQFT 3217.0000
EQUIPMENT SPECIFICATIONS:
NUMBER OF SHELL PASSES 2
NUMBER OF TUBE PASSES 8
TEMA SHELL TYPE F
ORIENTATION HORIZONTAL
BAFFLE TYPE SEGMENTAL
SHELL INSIDE DIAMETER FT 3.2500
SHELL TO BUNDLE CLEARANCE FT 0.0208
SPECIFICATIONS FOR TUBES:
TOTAL NUMBER OF TUBES 1024
TUBE TYPE BARE
TUBE PATTERN SQUARE
TUBE MATERIAL CARBON-STEEL
TUBE LENGTH FT 16.0000
TUBE INSIDE DIAMETER FT 0.0487
TUBE OUTSIDE DIAMETER FT 0.0625
TUBE PITCH FT 0.0833
TUBE THERMAL CONDUCTIVITY BTU-FT/HR-SQFT-R 25.0000
SPECIFICATIONS FOR SEGMENTAL BAFFLE SHELL:
NUMBER OF BAFFLES 38
NUMBER OF SEALING STRIP PAIRS 1
TUBES IN WINDOW YES
BAFFLE CUT 0.2500
SHELL TO BAFFLE CLEARANCE FT 0.0083
TUBE TO BAFFLE CLEARANCE FT 0.0083
CENTRAL BAFFLE SPACING FT 0.8222
INLET BAFFLE SPACING FT 0.6000

56

OUTLET BAFFLE SPACING FT 0.6000
SPECIFICATIONS FOR NOZZLES:
SHELL INLET NOZZLE DIAMETER FT 0.2058
SHELL OUTLET NOZZLE DIAMETER FT 0.2058
TUBE INLET NOZZLE DIAMETER FT 0.3355
TUBE OUTLET NOZZLE DIAMETER FT 0.3355
*** OVERALL RESULTS ***
STREAMS:
--------------------------------------
| |
HOTIN ----->| HOT (SHELL) |-----> HOTOUT
T= 3.0000D+02 | | T= 1.7813D+02
P= 5.0000D+01 | | P= 4.0277D+01
V= 0.0000D+00 | | V= 0.0000D+00
| |
COLDOUT <-----| COLD (TUBE) |<----- COLDIN
T= 2.5498D+02 | | T= 1.0000D+02
P= 8.5874D+01 | | P= 9.0000D+01
V= 0.0000D+00 | | V= 0.0000D+00
--------------------------------------
DUTY AND AREA:
CALCULATED HEAT DUTY BTU/HR 8625176.3970
CALCULATED (REQUIRED) AREA SQFT 3216.9807
ACTUAL EXCHANGER AREA SQFT 3217.0000
PER CENT OVER-DESIGN 0.0006
HEAT TRANSFER COEFFICIENT:
AVERAGE COEFFICIENT (DIRTY) BTU/HR-SQFT-R 63.9835
AVERAGE COEFFICIENT (CLEAN) BTU/HR-SQFT-R 90.4114
LOG-MEAN TEMPERATURE DIFFERENCE:
THERMAL EFFECTIVENESS (XI) 0.7777
NUMBER OF TRANSFER UNITS (NTU) 3.6905
LMTD CORRECTION FACTOR 0.7116
LMTD (CORRECTED) F 41.9036
STREAM VELOCITIES:
SHELLSIDE MAX. CROSSFLOW VEL. FT/SEC 2.5906
SHELLSIDE MAX. CROSSFLOW REYNOLDS NO. 50327.8397
SHELLSIDE MAX. WINDOW VEL. FT/SEC 2.0860
SHELLSIDE MAX. WINDOW REYNOLDS NO. 40525.1971
TUBESIDE MAX. VELOCITY FT/SEC 3.0208
TUBESIDE MAX. REYNOLDS NO. 45680.4836
PRESSURE DROP:
SHELLSIDE, BAFFLED FLOW AREA PSI 4.5462
SHELLSIDE, NOZZLE PSI 5.1766
SHELLSIDE, TOTAL PSI 9.7228
TUBESIDE, TUBES PSI 3.5838
TUBESIDE, NOZZLE PSI 0.5421
TUBESIDE, TOTAL PSI 4.1259
PRESSURE DROP PARAMETER:
SHELL SIDE: 149301.6600
TUBE SIDE: 92382.6749
*** ZONE PROFILES ***
ZONE 1:
-----------
SHELLSIDE:
CROSSFLOW/WINDOW CROSSFLOW/WINDOW
TEMPERATURE VELOCITY REYNOLDS NUMBER PRANDTL NUMBER
POINT F FT/SEC
1 288.526 2.591/ 2.086 50327.8/ 40525.2 4.342
2 265.138 2.549/ 2.052 46299.3/ 37281.3 4.485
3 241.133 2.508/ 2.020 42175.1/ 33960.4 4.673
4 216.468 2.469/ 1.988 37975.8/ 30579.0 4.921
5 191.094 2.430/ 1.957 33728.7/ 27159.1 5.246

57

TUBESIDE:
TEMPERATURE VELOCITY REYNOLDS NUMBER PRANDTL NUMBER
POINT F FT/SEC
1 240.793 3.021 45680.5 4.234
2 211.649 2.956 39388.8 4.572
3 181.392 2.893 33807.1 4.948
4 149.899 2.833 28784.9 5.382
5 117.018 2.774 24146.0 5.921
HEAT TRANSFER:
WALL TEMP. HS HT U AREA
POINT F <---- BTU/HR-SQFT-R ----> SQFT
1 256.885 164.203 322.868 66.895 759.218
2 230.204 161.888 304.803 65.481 692.152
3 202.722 159.126 286.554 63.909 634.956
4 174.391 155.866 267.773 62.139 586.064
5 145.187 152.050 247.796 60.094 544.591
HEATX COLD-HCURVE: H1 HCURVE 1
-------------------------------------
INDEPENDENT VARIABLE: DUTY
PRESSURE PROFILE: CONSTANT
-----------------------------------------------------
! DUTY ! PRES ! TEMP ! VFRAC !
! ! ! ! !
! ! ! ! !
! ! ! ! !
! BTU/HR ! PSI ! F ! !
! ! ! ! !
!============!============!============!============!
! 0.0 ! 85.8741 ! 100.0291 ! 0.0 !
! 4.1072+05 ! 85.8741 ! 108.1814 ! 0.0 !
! 8.2145+05 ! 85.8741 ! 116.2416 ! 0.0 !
! 1.2322+06 ! 85.8741 ! 124.2125 ! 0.0 !
! 1.6429+06 ! 85.8741 ! 132.0969 ! 0.0 !
!------------+------------+------------+------------!
! 2.0536+06 ! 85.8741 ! 139.8974 ! 0.0 !
! 2.4643+06 ! 85.8741 ! 147.6163 ! 0.0 !
! 2.8751+06 ! 85.8741 ! 155.2561 ! 0.0 !
! 3.2858+06 ! 85.8741 ! 162.8189 ! 0.0 !
! 3.6965+06 ! 85.8741 ! 170.3070 ! 0.0 !
!------------+------------+------------+------------!
! 4.1072+06 ! 85.8741 ! 177.7224 ! 0.0 !
! 4.5179+06 ! 85.8741 ! 185.0669 ! 0.0 !
! 4.9287+06 ! 85.8741 ! 192.3424 ! 0.0 !
! 5.3394+06 ! 85.8741 ! 199.5507 ! 0.0 !
! 5.7501+06 ! 85.8741 ! 206.6935 ! 0.0 !
!------------+------------+------------+------------!
! 6.1608+06 ! 85.8741 ! 213.7722 ! 0.0 !
! 6.5716+06 ! 85.8741 ! 220.7884 ! 0.0 !
! 6.9823+06 ! 85.8741 ! 227.7435 ! 0.0 !
! 7.3930+06 ! 85.8741 ! 234.6388 ! 0.0 !
! 7.8037+06 ! 85.8741 ! 241.4755 ! 0.0 !
!------------+------------+------------+------------!
! 8.2145+06 ! 85.8741 ! 248.2548 ! 0.0 !
! 8.6252+06 ! 85.8741 ! 254.9779 ! 0.0 !
-----------------------------------------------------
HEATX HOT-HCURVE: H1 HCURVE 1
-------------------------------------
INDEPENDENT VARIABLE: DUTY
PRESSURE PROFILE: CONSTANT
-----------------------------------------------------
! DUTY ! PRES ! TEMP ! VFRAC !
! ! ! ! !
! ! ! ! !

58

! ! ! ! !
! BTU/HR ! PSI ! F ! !
! ! ! ! !
!============!============!============!============!
! 0.0 ! 40.2773 ! 300.0369 ! 0.0 !
! -4.1072+05 ! 40.2773 ! 294.5902 ! 0.0 !
! -8.2145+05 ! 40.2773 ! 289.1111 ! 0.0 !
! -1.2322+06 ! 40.2773 ! 283.5989 ! 0.0 !
! -1.6429+06 ! 40.2773 ! 278.0534 ! 0.0 !
!------------+------------+------------+------------!
! -2.0536+06 ! 40.2773 ! 272.4740 ! 0.0 !
! -2.4643+06 ! 40.2773 ! 266.8601 ! 0.0 !
! -2.8751+06 ! 40.2773 ! 261.2113 ! 0.0 !
! -3.2858+06 ! 40.2773 ! 255.5271 ! 0.0 !
! -3.6965+06 ! 40.2773 ! 249.8068 ! 0.0 !
!------------+------------+------------+------------!
! -4.1072+06 ! 40.2773 ! 244.0498 ! 0.0 !
! -4.5179+06 ! 40.2773 ! 238.2557 ! 0.0 !
! -4.9287+06 ! 40.2773 ! 232.4237 ! 0.0 !
! -5.3394+06 ! 40.2773 ! 226.5533 ! 0.0 !
! -5.7501+06 ! 40.2773 ! 220.6438 ! 0.0 !
!------------+------------+------------+------------!
! -6.1608+06 ! 40.2773 ! 214.6946 ! 0.0 !
! -6.5716+06 ! 40.2773 ! 208.7049 ! 0.0 !
! -6.9823+06 ! 40.2773 ! 202.6741 ! 0.0 !
! -7.3930+06 ! 40.2773 ! 196.6014 ! 0.0 !
! -7.8037+06 ! 40.2773 ! 190.4863 ! 0.0 !
!------------+------------+------------+------------!
! -8.2145+06 ! 40.2773 ! 184.3278 ! 0.0 !
! -8.6252+06 ! 40.2773 ! 178.1253 ! 0.0 !
-----------------------------------------------------

59

Exercise C.2 Solution using HYSYS.Plant

These results can be reproduced using the file: TOLUENE_MANUFACTURE_EX.HSC

a) The annual costs computed using HYSYS is plotted below. The maximum
possible preheat temperature is 617
o
F (here the temperature profiles in the heat
exchanger are almost pinched).

b) From the above results, it is noted that the optimal pre-heat temperature is 600
o
F,
at which the annual cost is $369,500. For this value of pre-heat temperature, the
required heat transfer area is 7,110 ft
2

c) The total annual cost with no pre-heating is $1,173,000. To bring the n-heptane to
its dew point, the pre-heat temperature needs to be 209.3
o
F (computed by setting
the vapor fraction to unity), for which the annual cost is $765,300.


60

Separations

HYSYS.Plant

The materials supporting a course in separations assume that the students have already
covered most of the theory on multicomponent separations (flash and distillation). It is
recommended that 1-2 hours of computer laboratory time be allocated to allow students to review
the multimedia support available. The following sequence of modules is recommended:

Session 1: Cover all of the material under HYSYS Separations in the multimedia: Click on
Overview, and the cover all of the materials supporting Flash and Distillation. The
latter provides a framework for systematic multicomponent distillation column
design, in which the Component Splitter assists in the selection of operating
pressure, the Short-cut Column, using FUG methods, is employed to estimate the
number of stages, the location of the feed tray, and the required reflux ratio, and
finally the Column is used for the rigorous solution of MESH equations.

Session 2: Many students require assistance in the correct selection of property estimation
methods. It may be helpful to review the module on Physical Property Estimation
Package Selection. Advanced students are encouraged to also review the tutorial on
multi-draw tower optimization.

To reinforce their acquired capabilities, students should be assigned one or more homework
exercises. Two example exercises are provided: (a) The design of a series of two columns for the
separation of a mixture of alcohols; (b) A single multicomponent column.


61

Separations

ASPEN PLUS

The materials supporting a course in separations assume that the students have already
covered most of the theory on multicomponent separations (flash and distillation). It is
recommended that 1-2 hours of computer laboratory time be allocated to allow students to review
the multimedia support available. The following sequence of modules is recommended:

Session 1: Under ASPEN Tutorials Separations, the main menu refers to item 2.
Distillation. Students should see the videos of an industrial distillation complex and
a laboratory tower. Then, they should review the module on Split-fraction Model
(SEP2), which shows how to set the tower pressure, given specifications of the split
fractions. Then, they should refer to the module on FUG Shortcut Design (DSTWU)
to review methods for estimating the number of trays, the feed tray, and the reflux
ratio. Finally, they should review the module on MESH Equations (RADFRAC)

Session 2: Many students require assistance in the correct selection of property estimation
methods. It may be helpful to review the module on Physical Property Estimation
Package Selection.

To reinforce their acquired capabilities, students should be assigned one or more homework
exercises. Two typical exercises are provided: (a) The design of a series of two columns for the
separation of a mixture of alcohols; (b) A single multicomponent column.

ICARUS Process Evaluator (IPE)

IPE, an Aspen Tech product, takes results from any of the major process simulators,
involving many kinds of equipment items, and estimates equipment sizes, purchase costs and
installation costs leading to the total capital investment, operating costs, and profitability
measures. WDS has developed a set of course notes, which are provided with these materials.
Also, he is developing multimedia materials to provide instruction on the use of IPE. Eventually,
these can be used in the separations course to estimate the investment costs for a distillation
complex, as well as other separators. In these materials, we are providing Exercise 9.1 (SSL),
which involves the sizing and costing of a distillation complex. Exercise 9.1 has been modified
to include the usage of IPE.

62

Exercise D.1 Multicomponent Distillation Design Problem 1

In the manufacture of higher alcohols from carbon monoxide and hydrogen, a mixture of
alcohols is obtained, which must be separated into desired products. A feed mixture of:

mol%
ethanol 25
n-propanol 50
iso-butanol 10
n-butanol 15
has been isolated from methanol and heavier alcohols in prior distillation steps. It is a saturated
liquid at the pressure of the first distillation column, to be determined in a below.

The three desired products are streams containing:

1. At least 98% of the ethanol at a purity of 98 mol%.

2. N-propanol with essentially all of the remaining ethanol and no more than 2% of the
isobutanol in the feed mixture.

3. At least 98% of the iso-butanol, all of the n-butanol, and no more than 1% of the n-propanol,
in the feed mixture.

Two distillation towers are used. The first receives the feed mixture. Its distillate is fed to the
second tower, which produces ethanol-rich and n-propanol-rich products.

Use a process simulator to:

a. Determine the tower pressures that permit cooling water to be used in the condensers; that is,
let the cooling water be heated from 90-120F and the bubble-point of the condensed
overhead vapor be 130F or higher. This assures that the minimum approach temperature
difference is 10F. Use total condensers. To avoid vacuum operation, pressures in the towers
must exceed 20 psia. Assume no pressure drop in the towers. In ASPEN PLUS, use the
SEP2 subroutine. In HYSYS.Plant, use Splitter.

b. Determine the minimum number of trays and the minimum reflux ratio. Then, let the actual
reflux ratio be 1.3 R
min
and use the Gilliland correlation to determine the theoretical number
of trays and the location of the feed tray. In ASPEN PLUS, use the DSTWU subroutine. In
HYSYS.Plant, use Short-cut Column.

c. Using the design determined in a and b, simulate the towers; that is, solve the MESH
equations. In ASPEN PLUS, use the RADFRAC subroutine. In HYSYS.Plant, use Column.



63

Exercise D.2 Multicomponent Distillation Design Problem 2

The composition of a stream of 100 kgmol/hr at of a multicomponent mixture is:

mol%
benzene 12.5
toluene 22.5
o-xylene 37.5
n-propylbenzene 27.5

It is required to design a distillation column to separate the mixture such that the distillate
contains at least 99% of the toluene and the bottoms at least 99.4% of the o-xylene, given that the
stream is supplied at its bubble point, and both of the product streams are to be drawn as liquids.

Use a process simulator to:

(a) Determine the tower pressure that permit cooling water to be used in the condenser;
that is, let the cooling water be heated from 25-40C and the bubble-point of the
condensed overhead vapor 50C, with a lower bound on the operating pressure
being 20 psia. You may neglect the pressure drop in the column throughout this
exercise. In ASPEN PLUS, use the SEP2 subroutine. In HYSYS.Plant, use
Splitter.
(b) Determine the minimum number of trays and the minimum reflux ratio. Then, let
the actual reflux ratio be 1.3 R
min
and use the Gilliland correlation to determine
the theoretical number of trays and the location of the feed tray. In ASPEN PLUS,
use the DSTWU subroutine. In HYSYS.Plant, use Short-cut Column.
(c) Using the design determined in a and b, simulate the towers; that is, solve the
MESH equations. In ASPEN PLUS, use the RADFRAC subroutine. In
HYSYS.Plant, use Column.
(d) Following fouling of the heat transfer surface in the reboiler, it is estimated that the
available heat transfer duty has dropped by 40%. Is it possible to make a design
change in the column to allow the two specifications met previously to be
maintained? Alternatively, without changing the number of trays or the location of
the feed tray determined previously, what is the reflux ratio that will allow at
recovery of at least 90% of the toluene and 90% of the o-xylene for the fouled
reboiler?


64

Exercise D.3 Distillation Sizing and Costing Problem (Exercise 9.1 (SSL) Revised for IPE)

The feed to a sieve-tray distillation column operating at 1 atm is 700 lbmol/hr of 45 mol%
benzene and 55 mol% toluene at 1 atm and its bubble-point temperature of 201F. The distillate
contains 92 mol% benzene and boils at 179F. The bottoms product contains 95 mol% toluene
and boils at 227F. The column has 23 trays spaced 18 in. apart, and its reflux ratio is 1.25.
Column pressure drop is neglected. Tray efficiency is 80%. Estimate the total bare-module cost
of the column, condenser, reflux accumulator, condenser pump, reboiler, and reboiler pump.
Also, estimate the total permanent investment. Results should be computed using: (1) the cost
charts in Chapter 9, and (2) IPE (ICARUS Process Evaluator). Compare the results.

Data
Molal heat of vaporization of distillate = 13,700 Btu/lbmol
Molal heat capacity of distillate = 40 Btu/lbmol F
Overall U of condenser = 100 Btu/hr ft
2
F
Cooling water from 90F to 120F
Heat flux for reboiler = 12,000 Btu/hr ft
2

Saturated steam at 60 psia
Reflux accumulator residence time = 5 minutes at half full; L/D = 4
Pump heads = 50 psia; suction pressure = 1 atm, efficiency = 1

Calculate the flooding velocity of the vapor using the procedure in Example 10.2. Use 85 percent
of the flooding velocity to determine the column diameter.

Notes

The file, BENTOLDIST.BKP, is included on the CD-ROM that accompanies these notes.
It contains the simulation results using the RADFRAC subroutine in ASPEN PLUS. This file
should be used to prepare the report file for IPE. Note that the simulation was carried out using
20 stages (18 trays plus the condenser and reboiler). When using IPE, set the tray efficiency to
0.8 and IPE will adjust the number of trays to 23.

Since IPE does not size and cost a reboiler pump, a centrifugal pump should be added.
Also, since Chapter 9 does not include the cost charts for a pump, copies from Ulrich (1984) are
attached.

IPE estimates the physical properties and heat-transfer coefficients. Do not adjust these.

In IPE, reset the temperatures of cooling water (90 and 120F) and add a utility for 60
psia steam. Use the steam tables to obtain the physical properties.

Use a kettle reboiler with a floating head.


65

IPE sizes the tower using a 24 in tray spacing as the default. After sizing (mapping) is
complete, adjust the tray spacing to 18 in. Note that the height of the tower must be adjusted
accordingly.

Note that IPE estimates the costs of Direct Material and Manpower for each equipment
item. These are also referred to as the costs of direct materials and labor, C
DML
= C
P
+ C
M
+ C
L
.

To Be Submitted

Include your hand calculations using the cost charts and the methods in Chapter 9. (Note
that these methods are identical to those in Example 10.2).

Do not submit the entire IPE Capital Estimate Report. Instead, prepare a table showing a
comparison of the equipment sizes and purchased costs. When using the methods in Chapter 9,
show the bare module cost. For IPE, show the direct cost of materials and labor. It is sufficient
to take the numbers from IPE. For both methods, show the calculations leading to the total
permanent investment. Discuss the results.

ASPEN PLUS Solution


66

Exercise D.1 Solution using HYSYS.Plant
Solution reproduced in: DISTIL_EX_1.hsc

Based upon the specifications, the desired product streams are determined by material
balance:

FEED D1 B1 D2 B2
Ethanol 25.0 25.0 - 24.5 0.5
1-Propanol 50.0 49.5 0.5 0.5 49.0
i-Butanol 10.0 0.2 9.8 - 0.2
1- Butanol 15.0 - 15.0 - -
Total 100.0 74.7 25.3 25.0 49.7

a. In HYSYS.Plant, the column pressures are determined using the Component
Splitter, adjusting the distillate pressure to achieve distillate bubble points at
130F, with lower bounds of 20 psia to avoid vacuum operation. Note that
because the most volatile species, ethanol, is present in the distillate of both
towers, the pressure is adjusted to its lower bound in both towers.

Component Splitter: X-100
PARAMETERS
Stream Specifications
Overhead Pressure: 20.00 psia Overhead Vapour Fraction: 0.0000
Bottoms Pressure: 20.00 psia Bottoms Vapour Fraction: 0.0000
SPLITS
Component Fraction To Overhead
Component Overhead Fraction
Ethanol 1
1-Propanol 0.99

PROPERTIES

67

F1 Overall Liquid Phase Vapour Phase
Vapour/Phase Fraction 0 1 0
Temperature: (F) 215.7 215.7 215.7
Molar Flow (lbmole/hr) 100 100 0
Mass Enthalpy (Btu/lb) -2065 -2065 -1882
Mass Entropy (Btu/lb-F) 0.2245 0.2245 0.6496

D1 Overall Liquid Phase Vapour Phase
Temperature: (F) 207.6 207.6 207.6

B1 Overall Liquid Phase Vapour Phase
Temperature: (F) 251.5 251.5 251.5


68


PARAMETERS
Overhead Pressure: 20.00 psia Overhead Vapour Fraction: 1.0000
Bottoms Pressure: 20.00 psia Bottoms Vapour Fraction: 0.0000
SPLITS
Ethanol 0.98
1-Propanol 0.0101

PROPERTIES
Overall Liquid Phase Vapour Phase
D1 0 1 0
Vapour/Phase Fraction 207.6 207.6 207.6
Temperature: (F) 20 20 20
Pressure: (psia) 74.7 74.7 0
Mass Flow (lb/hr) 353.7 353.7 0
Liquid Volume Flow (barrel/day) -1.21E+05 -1.21E+05 -1.03E+05
Molar Enthalpy (Btu/lbmole) -2188 -2188 -1947
Mass Enthalpy (Btu/lb) 9.962 9.962 34.28
Mass Entropy (Btu/lb-F) -9.06E+06 -9.06E+06 0
Heat Flow (Btu/hr)
Overall Vapour Phase Liquid Phase
D2 1 1 0
Mass Flow (lb/hr) 99.65 99.65 0
Heat Flow (Btu/hr)
Overall Liquid Phase Vapour Phase
B2 0 1 0
Pressure: (psia) 49.7 49.7 0

69

Heat Flow (Btu/hr)
b. Using the tower pressures determined in a, the numbers of trays and the reflux ratios are
determined using short-cut column in HYSYS.Plant, for splits specified to give the
desired products. For the first column, the minimum number of trays is 22. For 1.3R
min
,
the design calls for 44 trays with reflux ratio of 2.298. For the second column, N
min
= 12,
with a design for 1.3R
min
giving 23 trays and a reflux ratio of 3.604.

Shortcut Column: T-100B
Parameters
Component Mole Fraction
Light Key 1-Propanol 1.98E-02
Heavy Key i-Butanol 2.70E-03
Pressures (psia) Reflux Ratios
Condenser Pressure 20 External Reflux Ratio 2.298
Reboiler Pressure 20 Minimum Reflux Ratio 1.768
User Variables
Results Summary
Trays / Temperatures Flows
Minimum # of Trays 21.52 Rectify Vapour (lbmole/hr) 246.4
Actual # of Trays 43.63 Rectify Liquid (lbmole/hr) 171.7
Optimal Feed Stage 24.7 Stripping Vapour (lbmole/hr) 246.4
Condenser Temperature (F) 207.6 Stripping Liquid (lbmole/hr) 271.7
Reboiler Temperature (F) 251.5 Condenser Duty (Btu/hr) -4.11E+06
Reboiler Duty (Btu/hr) 4.14E+06


70

Shortcut Column: T-101B
Parameters
Light Key Ethanol 1.01E-02
Heavy Key 1-Propanol 2.00E-02
Pressures (psia) Reflux Ratios
Condenser Pressure 20External Reflux Ratio 3.604
Reboiler Pressure 20Minimum Reflux Ratio 2.772
User Variables
Results Summary
Minimum # of Trays 11.94Rectify Vapour (lbmole/hr) 115.1
Actual # of Trays 23.76Rectify Liquid (lbmole/hr) 90.09
Optimal Feed Stage 11.89Stripping Vapour (lbmole/hr) 115.1
Condenser Temperature (F) 187.6Stripping Liquid (lbmole/hr) 164.8
Reboiler Temperature (F) 221.6Condenser Duty (Btu/hr) -1.88E+06
Reboiler Duty (Btu/hr) 1.89E+06
c. Using the design determined in a and b, the MESH equations are solved using column
in HYSYS.Plant. Note that minor adjustments in the the reflux ratios in both columns are
made by the internal design specification to achieve the required component molar flow
rates: In the first column, the reflux ratio is decreased from 2.298 to 2.192, while in the
second column, it is reduced from 3.60 to 3.54.

Distillation: T-100C @Main
MONITOR
Specifications Summary Specified Value Current Value Wt. Error Wt. Tol. Abs. Tol. Active E
Iso-prop in D 49.50 lbmole/hr 49.50 lbmole/hr 2.62E-08 1.00E-02 2.205 lbmole/hr On O
Iso-butanol in B 9.800 lbmole/hr 9.800 lbmole/hr 1.39E-08 1.00E-02 2.205 lbmole/hr On O
Distillate Rate 74.70 lbmole/hr 74.70 lbmole/hr 5.28E-07 1.00E-02 2.205 lbmole/hr Off O
Reflux Ratio 2.298 2.192 -4.61E-02 1.00E-02 1.00E-02 Off O
Reflux Rate 163.7 lbmole/hr 1.00E-02 2.205 lbmole/hr Off O
Btms Prod Rate 25.30 lbmole/hr 1.00E-02 2.205 lbmole/hr Off O

71

SPECS
Column Specification Parameters
Iso-prop in D
Draw: D1C Flow Basis: Molar Phase: Liquid
Components: 1-Propanol
Iso-butanol in B
Draw: B1C Flow Basis: Molar Phase: Liquid
Components: i-Butanol
Distillate Rate
Stream: D1C Flow Basis: Molar
Reflux Ratio
Stage: Condenser Flow Basis: Molar Liquid Specification:
Reflux Rate
Btms Prod Rate
Stream: B1C Flow Basis: Molar
User Variables
PROFILES
General Parameters
Sub-Flow Sheet: T-100C (COL1) Number of Stages: 44

SOLVER
Column Solving Algorithm: HYSIM Inside-Out
Solving Options Acceleration Parameters
Maximum Iterations: 10000 Accelerate K Value & H Model Parameters: Off
Equilibrium Error Tolerance: 1.000e-07
Heat/Spec Error Tolerance: 1.000e-007
Save Solutions as Initial Estimate: On
Super Critical Handling Model: Simple K
Trace Level: Low
Init from Ideal K's: Off Damping Parameters
Initial Estimate Generator Parameters Azeotrope Check: Off
Iterative IEG (Good for Chemicals): Off Fixed Damping Factor: 1

PROPERTIES

Properties : F3 Overall Vapour Phase Liquid Phase
Temperature: (F) 215.7 215.7 215.7
Molar Flow (lbmole/hr) 100 5.12E-09 100
Mass Flow (lb/hr) 6010 2.85E-07 6010
Liquid Volume Flow (barrel/day) 511.6 2.43E-08 511.6
Molar Enthalpy (Btu/lbmole) -1.24E+05 0 -1.24E+05
Mass Enthalpy (Btu/lb) -2065 0 -2065
Molar Entropy (Btu/lbmole-F) 13.49 0 13.49
Mass Entropy (Btu/lb-F) 0.2245 0 0.2245
Heat Flow (Btu/hr) -1.24E+07 0 -1.24E+07


72

Properties : D1C Overall Vapour Phase Liquid Phase
Temperature: (F) 207.6 207.6 207.6
Molar Flow (lbmole/hr) 74.7 0 74.7
Liquid Volume Flow (barrel/day) 353.7 0 353.7

Properties : B1C Overall Vapour Phase Liquid Phase
Temperature: (F) 251.5 251.5 251.5
Tray Summary
Flow Basis: Molar Reflux Ratio: 2.192
Temp. Pressure Liquid Vapour Feeds Draws Duties
(F) (psia) (lbmole/hr) (lbmole/hr) (lbmole/hr) (lbmole/hr) (Btu/hr)
Condenser 207.6 20 163.7 74.7 L -3.98E+06
1__Main TS 213 20 163.9 238.4
2__Main TS 215.7 20 164 238.6
3__Main TS 217 20 164.1 238.7
4__Main TS 217.5 20 164.2 238.8
5__Main TS 217.8 20 164.2 238.9
6__Main TS 217.9 20 164.2 238.9
7__Main TS 218 20 164.2 238.9
8__Main TS 218.1 20 164.2 238.9
9__Main TS 218.1 20 164.2 238.9
10__Main TS 218.2 20 164.2 238.9
11__Main TS 218.3 20 164.2 238.9
12__Main TS 218.4 20 164.2 238.9
13__Main TS 218.5 20 164.1 238.9
14__Main TS 218.6 20 164.1 238.8
15__Main TS 218.7 20 164.1 238.8
16__Main TS 218.9 20 164.1 238.8
17__Main TS 219 20 164 238.8

73

18__Main TS 219.2 20 164 238.7
19__Main TS 219.5 20 163.9 238.7
20__Main TS 219.7 20 163.8 238.6
21__Main TS 220.1 20 163.7 238.5
22__Main TS 220.5 20 163.5 238.4
23__Main TS 221.1 20 163.3 238.2
24__Main TS 221.9 20 163 238
25__Main TS 222.9 20 263.7 237.7 100 L
26__Main TS 225 20 264.2 238.4
27__Main TS 226.3 20 264.5 238.9
28__Main TS 227.1 20 264.7 239.2
29__Main TS 227.8 20 264.8 239.4
30__Main TS 228.4 20 264.8 239.5
31__Main TS 229 20 264.8 239.5
32__Main TS 229.8 20 264.9 239.5
33__Main TS 230.7 20 264.9 239.6
34__Main TS 231.9 20 264.9 239.6
35__Main TS 233.3 20 265 239.6
36__Main TS 234.9 20 265.2 239.7
37__Main TS 236.6 20 265.3 239.9
38__Main TS 238.4 20 265.5 240
39__Main TS 240.3 20 265.6 240.2
40__Main TS 242.2 20 265.7 240.3
41__Main TS 244 20 265.6 240.4
42__Main TS 245.9 20 265.4 240.3
43__Main TS 247.7 20 265.1 240.1
44__Main TS 249.6 20 264.7 239.8
Reboiler 251.5 20 239.4 25.3 L 4.01E+06


74

Distillation: T-101C @Main

MONITOR
Specifications Summary
Specified Value Current Value Wt. Error Wt. Tol. Abs. Tol. Ab
Ethanol in D 24.50 lbmole/hr 24.50 lbmole/hr 5.99E-09 1.00E-022.205 lbmole/hr 2.2
Iso-propanol in B 49.00 lbmole/hr 49.00 lbmole/hr -1.58E-08 1.00E-022.205 lbmole/hr 2.2
Distillate Rate 25.00 lbmole/hr 25.00 lbmole/hr 5.68E-07 1.00E-022.205 lbmole/hr 2.2
Reflux Ratio 3.6 3.537 -1.75E-02 1.00E-02 1.00E-02
Reflux Rate 88.43 lbmole/hr 1.00E-022.205 lbmole/hr 2.2
Btms Prod Rate 49.70 lbmole/hr 1.00E-022.205 lbmole/hr 2.2
SPECS
Ethanol in D
Draw: D2C @COL2 Flow Basis: Molar Phase: Liquid
Components: Ethanol
Iso-propanol in B
Draw: B2C @COL2 Flow Basis: Molar Phase: Liquid
Components: 1-Propanol
Distillate Rate
Stream: D2C @COL2 Flow Basis: Molar
Reflux Ratio
Reflux Rate
Btms Prod Rate
Stream: B2C @COL2 Flow Basis: Molar
User Variables
PROFILES
General Parameters
Sub-Flow Sheet: T-101C (COL2) Number of Stages: 24

SOLVER
Trace Level: Low

PROPERTIES
Properties : D1C @COL2 Overall Liquid Phase
Vapour/Phase Fraction 0 1

75

Temperature: (F) 207.6 207.6
Pressure: (psia) 20 20
Molar Flow (lbmole/hr) 74.7 74.7
Mass Flow (lb/hr) 4141 4141
Liquid Volume Flow (barrel/day) 353.7 353.7
Molar Enthalpy (Btu/lbmole) -1.21E+05 -1.21E+05
Mass Enthalpy (Btu/lb) -2188 -2188
Molar Entropy (Btu/lbmole-F) 9.962 9.962
Mass Entropy (Btu/lb-F) 0.1797 0.1797
Heat Flow (Btu/hr) -9.06E+06 -9.06E+06

Properties : D2C @COL2 Overall Vapour Phase Liquid Phase
Temperature: (F) 187.6 187.6 187.6

Properties : B2C @COL2 Overall Vapour Phase Liquid Phase
Temperature: (F) 221.6 221.6 221.6
Liquid Volume Flow (barrel/day) 254 0 254

Tray Summary
Flow Basis: Molar Reflux Ratio: 3.537
Temp. Pressure Liquid Vapour Feeds Feeds Draws Duties
(F) (psia) (lbmole/hr) (lbmole/hr) (lbmole/hr) (lbmole/hr) (lbmole/hr) (Btu/hr)
Condenser 187.6 20 88.43 25 L -1.85E+06
1__Main TS 188.1 20 88.3 113.4
2__Main TS 189 20 88.11 113.3
3__Main TS 190.2 20 87.86 113.1
4__Main TS 192 20 87.54 112.9
5__Main TS 194.2 20 87.19 112.5
6__Main TS 196.9 20 86.87 112.2
7__Main TS 199.7 20 86.61 111.9

76

8__Main TS 202.3 20 86.45 111.6
9__Main TS 204.6 20 86.36 111.4
10__Main TS 206.3 20 86.32 111.4
11__Main TS 207.5 20 86.3 111.3
12__Main TS 208.4 20 161 111.3 74.7 75.7
13__Main TS 209.4 20 161 111.3
14__Main TS 210.6 20 161 111.3
15__Main TS 211.9 20 161.1 111.3
16__Main TS 213.4 20 161.1 111.4
17__Main TS 214.8 20 161.2 111.4
18__Main TS 216.2 20 161.3 111.5
19__Main TS 217.5 20 161.5 111.6
20__Main TS 218.6 20 161.6 111.8
21__Main TS 219.5 20 161.7 111.9
22__Main TS 220.2 20 161.8 112
23__Main TS 220.8 20 161.9 112.1
24__Main TS 221.3 20 161.9 112.2
Reboiler 221.6 20 112.2 49.7 L 1.86E+06


77

Exercise D.1 Solution using ASPEN.PLUS

Based upon the specifications, the desired product streams are determined by material
balance:

FEED DIS1 BOT1 DIS2 BOT2
EtOH 25.0 25.0 - 24.5 0.5
nPOH 50.0 49.5 0.5 0.5 49.0
iBOH 10.0 0.2 9.8 - 0.2
nBOH 15.0 - 15.0 - -
Total 100.0 74.7 25.3 25.0 49.7

a. The column pressures are determined using the SEP2 subroutine in ASPEN
PLUS with design specifications that adjust the distillate pressure to achieve
distillate bubble points at 130F. The lower bound of 20 psia to avoid vacuum
operation. Note that because the most volatile species, ethanol, is present in the
distillate of both towers, the pressure is adjusted to its lower bound in both
towers. The results below can be reproduced using the file SEP2.BKP.

FEED
BOT1
DIS1
DIS2
BOT2
D1 D2

ASPEN PLUS Program

TITLE 'PRESSURE DETERMINATION'
IN-UNITS ENG
DESCRIPTION "
NOASPENPCD
COMPONENTS
ETHANOL C2H6O-2 /
PROPANOL C3H8O-1 /
ISOBU-01 C4H10O-3 /

78

N-BUT-01 C4H10O-1
FLOWSHEET
BLOCK D1 IN=FEED OUT=DIS1 BOT1
BLOCK D2 IN=DIS1 OUT=DIS2 BOT2
PROPERTIES IDEAL
STREAM FEED
SUBSTREAM MIXED PRES=20. <psia> VFRAC=0. MOLE-FLOW=100.
MOLE-FRAC ETHANOL 0.25 / PROPANOL 0.5 / ISOBU-01 0.1 / &
N-BUT-01 0.15
BLOCK D1 SEP2
FRAC STREAM=DIS1 SUBSTREAM=MIXED COMPS=ETHANOL PROPANOL &
ISOBU-01 N-BUT-01 FRACS=1. 0.99 0.02 0.
FLASH-SPECS DIS1 PRES=20. VFRAC=0.
FLASH-SPECS BOT1 PRES=20. VFRAC=0.
BLOCK D2 SEP2
FRAC STREAM=DIS2 SUBSTREAM=MIXED COMPS=ETHANOL PROPANOL &
ISOBU-01 N-BUT-01 FRACS=0.98 0.0101 0. 0.
FLASH-SPECS DIS2 PRES=20. VFRAC=0.
FLASH-SPECS BOT2 PRES=20. VFRAC=0.
DESIGN-SPEC DS-1
DEFINE DIS1T STREAM-VAR STREAM=DIS1 SUBSTREAM=MIXED &
VARIABLE=TEMP
SPEC "DIS1T" TO "130"
TOL-SPEC "0.001"
VARY BLOCK-VAR BLOCK=D1 VARIABLE=PRES SENTENCE=FLASH-SPECS &
ID1=DIS1
LIMITS "20" "100"
DESIGN-SPEC DS-2
DEFINE DIS2T STREAM-VAR STREAM=DIS2 SUBSTREAM=MIXED &
VARIABLE=TEMP
SPEC "DIS2T" TO "130"
TOL-SPEC "0.001"
VARY BLOCK-VAR BLOCK=D2 VARIABLE=PRES SENTENCE=FLASH-SPECS &
ID1=DIS2
LIMITS "20" "100"
EO-CONV-OPTI

Stream Variables

BOT1 BOT2 DIS1 DIS2 FEED
------------------------
STREAM ID BOT1 BOT2 DIS1 DIS2 FEED
FROM : D1 D2 D1 D2 ----
TO : ---- ---- D2 ---- D1
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID LIQUID LIQUID
ETHANOL 0.0 0.5000 25.0000 24.5000 25.0000
PROPANOL 0.5000 49.0001 49.5000 0.5000 50.0000
ISOBU-01 9.8000 0.2000 0.2000 0.0 10.0000
N-BUT-01 15.0000 0.0 0.0 0.0 15.0000
TOTAL FLOW:
LBMOL/HR 25.3000 49.7001 74.7000 25.0000 100.0000
LB/HR 1868.2934 2982.5622 4141.2986 1158.7364 6009.5920
CUFT/HR 42.3597 65.9918 92.2460 26.5987 133.8460
STATE VARIABLES:
TEMP F 251.0983 221.6330 207.8053 187.9351 215.8258
PRES PSI 20.0000 20.0000 20.0000 20.0000 20.0000
VFRAC 0.0 0.0 0.0 0.0 0.0
LFRAC 1.0000 1.0000 1.0000 1.0000 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -1.3208+05 -1.2398+05 -1.2143+05 -1.1582+05 -1.2441+05

79

BTU/LB -1788.6308 -2066.0146 -2190.2920 -2498.7500 -2070.2178
BTU/HR -3.3417+06 -6.1620+06 -9.0707+06 -2.8954+06 -1.2441+07
ENTROPY:
BTU/LBMOL-R -116.3746 -97.0906 -89.4718 -76.9346 -95.6280
BTU/LB-R -1.5759 -1.6179 -1.6139 -1.6599 -1.5913
DENSITY:
LBMOL/CUFT 0.5973 0.7531 0.8098 0.9399 0.7471
LB/CUFT 44.1054 45.1959 44.8941 43.5637 44.8993
AVG MW 73.8456 60.0113 55.4391 46.3496 60.0959
b. Using the tower pressures determined in a, the numbers of trays and the
reflux ratios are determined using the DSTWU subroutine in ASPEN PLUS,
for splits specified to give the desired products. The towers have 41 and 23
stages and reflux ratios of 2.39 and 3.64. The results below can be reproduced
using the file DSTWU.BKP.

ASPEN PLUS Program paragraphs that differ from above.

TITLE 'DESIGN CALCULATIONS'

BLOCK D1 DSTWU
PARAM LIGHTKEY=1-PRO-01 RECOVL=0.99 HEAVYKEY=ISOBU-01 &
RECOVH=0.02 PTOP=20. PBOT=20. RDV=0.0 RR=-1.3

BLOCK D2 DSTWU
PARAM LIGHTKEY=ETHAN-01 RECOVL=0.98 HEAVYKEY=1-PRO-01 &
RECOVH=0.0101 PTOP=20. PBOT=20. RR=-1.3


BLOCK: D1 MODEL: DSTWU
-----------------------------
*** INPUT DATA ***
HEAVY KEY COMPONENT ISOBU-01
RECOVERY FOR HEAVY KEY 0.020000
LIGHT KEY COMPONENT 1-PRO-01
RECOVERY FOR LIGHT KEY 0.99000
TOP STAGE PRESSURE (PSI ) 20.0000
BOTTOM STAGE PRESSURE (PSI ) 20.0000
REFLUX RATIO -1.30000
DISTILLATE VAPOR FRACTION 0.0
*** RESULTS ***
DISTILLATE TEMP. (F ) 207.805
BOTTOM TEMP. (F ) 251.098
MINIMUM REFLUX RATIO 1.83652
ACTUAL REFLUX RATIO 2.38747
MINIMUM STAGES 22.2947
ACTUAL EQUILIBRIUM STAGES 40.9995
NUMBER OF ACTUAL STAGES ABOVE FEED 18.5858
DIST. VS FEED 0.74700
CONDENSER COOLING REQUIRED (BTU/HR ) 4,381,070.
NET CONDENSER DUTY (BTU/HR ) -4,381,070.
REBOILER HEATING REQUIRED (BTU/HR ) 4,409,900.
NET REBOILER DUTY (BTU/HR ) 4,409,900.
BLOCK: D2 MODEL: DSTWU
-----------------------------
*** INPUT DATA ***
HEAVY KEY COMPONENT 1-PRO-01
RECOVERY FOR HEAVY KEY 0.010100
LIGHT KEY COMPONENT ETHAN-01
RECOVERY FOR LIGHT KEY 0.98000

80

TOP STAGE PRESSURE (PSI ) 20.0000
BOTTOM STAGE PRESSURE (PSI ) 20.0000
REFLUX RATIO -1.30000
DISTILLATE VAPOR FRACTION 0.0
*** RESULTS ***
DISTILLATE TEMP. (F ) 187.935
BOTTOM TEMP. (F ) 221.633
MINIMUM REFLUX RATIO 2.80216
ACTUAL REFLUX RATIO 3.64280
MINIMUM STAGES 12.1016
ACTUAL EQUILIBRIUM STAGES 22.2106
NUMBER OF ACTUAL STAGES ABOVE FEED 11.6852
DIST. VS FEED 0.33467
CONDENSER COOLING REQUIRED (BTU/HR ) 1,918,790.
NET CONDENSER DUTY (BTU/HR ) -1,918,790.
REBOILER HEATING REQUIRED (BTU/HR ) 1,932,040.
NET REBOILER DUTY (BTU/HR ) 1,932,040.
c. Using the design determined in a and b, the MESH equations are solved
using the RADFRAC subroutine in ASPEN PLUS. The results below can be
reproduced using the file RADFRAC.BKP. Note that the reflux ratio in the
second column is increased using an internal design specification to achieve a
molar flow rate of
n-pentanol in the distillate of 0.5 lbmole/hr. The reflux ratio is increased from
3.64 to 4.28.

ASPEN PLUS Program paragraphs that differ from above.

TITLE 'RADFRAC SIMULATION'

BLOCK D1 RADFRAC
PARAM NSTAGE=41
COL-CONFIG CONDENSER=TOTAL
FEEDS FEED 19
PRODUCTS DIS1 1 L / BOT1 41 L
P-SPEC 1 20.
COL-SPECS DP-COL=0. MOLE-D=74.7 MOLE-RR=3.65
SC-REFLUX DEGSUB=0.

BLOCK D2 RADFRAC
PARAM NSTAGE=23
COL-CONFIG CONDENSER=TOTAL
FEEDS DIS1 12
PRODUCTS DIS2 1 L / BOT2 23 L
P-SPEC 1 20.
COL-SPECS DP-COL=0. MOLE-D=25. MOLE-RR=3.64
SC-REFLUX DEGSUB=0.
SPEC 1 MOLE-FLOW 0.5 COMPS=1-PRO-01 STREAMS=DIS2
VARY 1 MOLE-RR 3.6 8.

Stream Variables

BOT1 BOT2 DIS1 DIS2 FEED
------------------------
STREAM ID BOT1 BOT2 DIS1 DIS2 FEED
FROM : D1 D2 D1 D2 ----
TO : ---- ---- D2 ---- D1

81

SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID LIQUID LIQUID
ETHAN-01 1.7690-08 0.5000 25.0000 24.5000 25.0000
1-PRO-01 0.3762 49.1238 49.6238 0.5000 50.0000
ISOBU-01 9.9239 7.6048-02 7.6055-02 6.6135-06 10.0000
N-BUT-01 14.9999 1.1262-04 1.1262-04 1.2194-10 15.0000
TOTAL FLOW:
LBMOL/HR 25.3000 49.7000 74.7000 25.0000 100.0000
LB/HR 1870.0304 2980.8221 4139.5616 1158.7395 6009.5920
CUFT/HR 42.4066 65.9498 92.2053 26.5987 133.8460
STATE VARIABLES:
TEMP F 251.2361 221.5931 207.7846 187.9348 215.8258
PRES PSI 20.0000 20.0000 20.0000 20.0000 20.0000
VFRAC 0.0 0.0 0.0 0.0 0.0
LFRAC 1.0000 1.0000 1.0000 1.0000 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -1.3213+05 -1.2396+05 -1.2141+05 -1.1582+05 -1.2441+05
BTU/LB -1787.5949 -2066.7655 -2190.8725 -2498.7491 -2070.2178
BTU/HR -3.3429+06 -6.1607+06 -9.0693+06 -2.8954+06 -1.2441+07
ENTROPY:
BTU/LBMOL-R -116.5121 -97.0604 -89.4507 -76.9346 -95.6280
BTU/LB-R -1.5763 -1.6183 -1.6142 -1.6599 -1.5913
DENSITY:
LBMOL/CUFT 0.5966 0.7536 0.8101 0.9399 0.7471
LB/CUFT 44.0976 45.1983 44.8951 43.5637 44.8993
AVG MW 73.9142 59.9763 55.4158 46.3496 60.0959


BLOCK: D1 MODEL: RADFRAC
-------------------------------
INLETS - FEED STAGE 19
OUTLETS - DIS1 STAGE 1
BOT1 STAGE 41
**** COL-SPECS ****
MOLAR VAPOR DIST / TOTAL DIST 0.0
MOLAR REFLUX RATIO 3.65000
MOLAR DISTILLATE RATE LBMOL/HR 74.7000
DIST + REFLUX DEG SUBCOOLED F 0.0
*** COMPONENT SPLIT FRACTIONS ***
OUTLET STREAMS
--------------
DIS1 BOT1
COMPONENT:
ETHAN-01 1.0000 .70758E-09
1-PRO-01 .99248 .75233E-02
ISOBU-01 .76055E-02 .99239
N-BUT-01 .75079E-05 .99999
*** SUMMARY OF KEY RESULTS ***
TOP STAGE TEMPERATURE F 207.785
BOTTOM STAGE TEMPERATURE F 251.236
TOP STAGE LIQUID FLOW LBMOL/HR 272.655
BOTTOM STAGE LIQUID FLOW LBMOL/HR 25.3000
TOP STAGE VAPOR FLOW LBMOL/HR 0.0
BOTTOM STAGE VAPOR FLOW LBMOL/HR 339.834
MOLAR BOILUP RATIO 13.4322
CONDENSER DUTY (W/O SUBCOOL) BTU/HR -6,046,320.
REBOILER DUTY BTU/HR 6,075,370.
DIST + REFLUX SUBCOOLED TEMP F 207.785

82

SUBCOOLED REFLUX DUTY BTU/HR 0.0
ENTHALPY
STAGE TEMPERATURE PRESSURE BTU/LBMOL HEAT DUTY
F PSI LIQUID VAPOR BTU/HR
1 207.78 20.000 -0.12141E+06 -0.10277E+06 -.60463+07
SUBC 207.78 20.000 -0.12141E+06
2 213.04 20.000 -0.12249E+06 -0.10400E+06
3 216.05 20.000 -0.12305E+06 -0.10477E+06
17 220.75 20.000 -0.12449E+06 -0.10608E+06
18 221.49 20.000 -0.12477E+06 -0.10622E+06
19 222.55 20.000 -0.12513E+06 -0.10641E+06
20 224.14 20.000 -0.12542E+06 -0.10690E+06
40 249.40 20.000 -0.13235E+06 -0.11469E+06
41 251.24 20.000 -0.13213E+06 -0.11449E+06 .60754+07
STAGE FLOW RATE FEED RATE PRODUCT RATE
LBMOL/HR LBMOL/HR LBMOL/HR
LIQUID VAPOR LIQUID VAPOR MIXED LIQUID VAPOR
1 272.7 0.0000E+00
SUBC 272.7 74.7000
2 271.1 347.4
3 270.5 345.8
17 268.9 344.0
18 268.4 343.6 .20341-03
19 368.2 343.1 99.9998
20 368.1 342.9
40 365.1 340.5
41 25.30 339.8 25.3000
Block D1: Liquid Composition Profiles
Stage
X

(
m
o
le

f
r
a
c
)
1 6 11 16 21 26 31 36 41
0
.
2
0
.
4
0
.
6
0
.
8
1
ETHAN-01
1-PRO-01
ISOBU-01
N-BUT-01
BLOCK: D2 MODEL: RADFRAC
-------------------------------
INLETS - DIS1 STAGE 12
OUTLETS - DIS2 STAGE 1
BOT2 STAGE 23
**** COL-SPECS ****
MOLAR VAPOR DIST / TOTAL DIST 0.0
MOLAR DISTILLATE RATE LBMOL/HR 25.0000
DIST + REFLUX DEG SUBCOOLED F 0.0

83

*** COMPONENT SPLIT FRACTIONS ***
OUTLET STREAMS
--------------
DIS2 BOT2
COMPONENT:
ETHAN-01 .98000 .20000E-01
1-PRO-01 .10076E-01 .98992
ISOBU-01 .86957E-04 .99991
N-BUT-01 .10828E-05 1.0000
*** SUMMARY OF KEY RESULTS ***
TOP STAGE TEMPERATURE F 187.935
BOTTOM STAGE TEMPERATURE F 221.593
TOP STAGE LIQUID FLOW LBMOL/HR 107.050
BOTTOM STAGE LIQUID FLOW LBMOL/HR 49.7000
TOP STAGE VAPOR FLOW LBMOL/HR 0.0
BOTTOM STAGE VAPOR FLOW LBMOL/HR 124.782
MOLAR BOILUP RATIO 2.51071
CONDENSER DUTY (W/O SUBCOOL) BTU/HR -2,180,430.
REBOILER DUTY BTU/HR 2,193,610.
DIST + REFLUX SUBCOOLED TEMP F 187.935
SUBCOOLED REFLUX DUTY BTU/HR 7.60648
ENTHALPY
STAGE TEMPERATURE PRESSURE BTU/LBMOL HEAT DUTY
F PSI LIQUID VAPOR BTU/HR
1 187.93 20.000 -0.11582E+06 -99230. -.21804+07
SUBC 187.93 20.000 -0.11582E+06 7.6064
2 188.46 20.000 -0.11600E+06 -99304.
3 189.31 20.000 -0.11630E+06 -99424.
10 206.29 20.000 -0.12107E+06 -0.10245E+06
11 208.05 20.000 -0.12146E+06 -0.10283E+06
12 209.28 20.000 -0.12173E+06 -0.10311E+06
13 210.82 20.000 -0.12204E+06 -0.10346E+06
22 221.26 20.000 -0.12390E+06 -0.10620E+06
23 221.59 20.000 -0.12396E+06 -0.10630E+06 .21936+07
STAGE FLOW RATE FEED RATE PRODUCT RATE
LBMOL/HR LBMOL/HR LBMOL/HR
LIQUID VAPOR LIQUID VAPOR MIXED LIQUID VAPOR
1 107.0 0.0000E+00
SUBC 107.0 25.0000
2 106.8 132.0
3 106.4 131.8
10 101.7 127.1
11 101.5 126.7 .89755-05
12 175.9 126.5 74.6999
13 175.6 126.2
22 174.5 124.8
23 49.70 124.8 49.7000

84

Block D2: Liquid Composition Profiles
Stage
X

(
m
o
le

f
r
a
c
)
1 3 5 7 9 11 13 15 17 19 21 23
0
.
2
0
.
4
0
.
6
0
.
8
1
ETHAN-01
1-PRO-01
ISOBU-01
N-BUT-01

85

Exercise D.2 Solution using HYSYS.Plant
Solution reproduced in: DISTIL_EX_2.hsc

Based upon the specifications, the desired product streams (in kgmol/hr) are determined
by material balance:

FEED D1 B1
Benzene 12.5 12.50 -
Toluene 22.5 22.275 0.2250
o-Xylene 37.5 0.2250 37.275
n-PBenzene 27.5 - 27.50
Total 100.0 35.00 65.00

a. In HYSYS.Plant, the column pressures are determined using the Component
Splitter, adjusting the distillate pressure to achieve distillate bubble points at
50C, with lower bounds of 20 psia to avoid vacuum operation. Note that due
to volatiles in the overhead, the column pressure is dictated by this lower
bound.


PARAMETERS
Overhead Pressure: 20.00 psia Overhead Vapor Fraction: 0.00
Bottoms Pressure: 20.00 psia Bottoms Vapor Fraction: 0.00
SPLITS
Benzene 1
Toluene 0.99
PROPERTIES


86

F1 Overall Liquid Phase Vapor Phase
Temperature: (C) 134.6 134.6 134.6
Pressure: (psig) 5.304 5.304 5.304
Molar Flow (kgmole/h) 100 100 0
Mass Flow (kg/h) 1.03E+04 1.03E+04 0
Liquid Volume Flow (m3/h) 11.82 11.82 0
Molar Enthalpy (kJ/kgmole) 1.06E+04 1.06E+04 6.41E+04
Mass Enthalpy (J/kg) 1.03E+05 1.03E+05 6.88E+05
Molar Entropy (kJ/gmole-C) 3.66E-02 3.66E-02 6.85E-02
Mass Entropy (kJ/g-C) 3.54E-04 3.54E-04 7.35E-04
Heat Flow (kJ/h) 1.06E+06 1.06E+06 0

D1 Overall Liquid Phase Vapor Phase
Temperature: (C) 107.7 107.7 107.7
Pressure: (psig) 5.304 5.304 5.304
Mass Flow (kg/h) 3053 3053 0
Molar Entropy (kJ/gmole-C) -7.86E-02 -7.86E-02 -5.09E-03
Mass Entropy (kJ/g-C) -9.01E-04 -9.01E-04 -6.04E-05
Heat Flow (kJ/h) 1.33E+06 1.33E+06 0

B1 Overall Liquid Phase Vapor Phase
Temperature: (C) 161.4 161.4 161.4
Pressure: (psig) 5.304 5.304 5.304
Mass Flow (kg/h) 7283 7283 0
Molar Enthalpy (kJ/kgmole) -261.3 -261.3 3.76E+04
Mass Enthalpy (J/kg) -2332 -2332 3.39E+05
Molar Entropy (kJ/gmole-C) 9.96E-02 9.96E-02 0.1951
Heat Flow (kJ/h) -1.70E+04 -1.70E+04 0

d. Using the tower pressures determined in a, the numbers of trays and the reflux ratios are
determined using short-cut column in HYSYS.Plant, for splits specified to give the
desired products. The minimum number of trays is 13. For 1.3R
min
, the design calls for
26 trays, with feed entering on the 13
th
tray, with a reflux ratio of 2.206.


87

Shortcut Column: T-100

Light Key Toluene 3.46E-03
Heavy Key o-Xylene 6.43E-03
Pressures (psig) Reflux Ratios
Condenser Pressure 20External Reflux Ratio 2.206
Reboiler Pressure 20Minimum Reflux Ratio 1.697
User Variables
Results Summary
Minimum # of Trays 12.63Rectify Vapour (kgmole/h) 112.2
Actual # of Trays 26.1Rectify Liquid (kgmole/h) 77.21
Optimal Feed Stage 12.9Stripping Vapour (kgmole/h) 112.2
Condenser Temperature (C) 129.3Stripping Liquid (kgmole/h) 177.2
Reboiler Temperature (C) 185.2Condenser Duty (kJ/h) -3.57E+06
Reboiler Duty (kJ/h) 3.82E+06
e. Using the design determined in a and b, the MESH equations are solved using column
in HYSYS.Plant. Note that a minor adjustment in the reflux ratio is made by the internal
design specification to achieve the required component molar flow rates: 2.206 to 2.49.


88

Distillation: T-101

MONITOR
Specifications Summary
Specified Value Current Value Wt. Error Wt. Tol. Abs. Tol. Active Estimate
Toluene Recovery 0.99 0.99 1.06E-08 1.00E-02 1.00E-03 On On
Xylene Recovery 0.994 0.994 8.59E-10 1.00E-02 1.00E-03 On On
Distillate Rate 35.00 kgmole/h 35.00 kgmole/h 3.36E-05 1.00E-02 1.000 kgmole/h Off On
Reflux Ratio 2.206 2.493 0.13 1.00E-02 1.00E-02 Off On
Reflux Rate 87.25 kgmole/h 1.00E-02 1.000 kgmole/h Off On
Btms Prod Rate 65.00 kgmole/h 1.00E-02 1.000 kgmole/h Off On

SPECS
Toluene Recovery
Draw: D3 @COL1 Flow Basis: Molar
Components: Toluene
Xylene Recovery
Draw: B3 @COL1 Flow Basis: Molar
Components: o-Xylene
Distillate Rate
Stream: D3 @COL1 Flow Basis: Molar
Reflux Ratio
Reflux Rate
Btms Prod Rate
Stream: B3 @COL1 Flow Basis: Molar
User Variables
PROFILES
General Parameters
Sub-Flow Sheet: T-101 (COL1) Number of Stages: 26

SOLVER
Trace Level: Low


89

PROPERTIES
Properties : F3 @COL1
Overall Liquid Phase
Temperature: (C) 158.2 158.2
Pressure: (psig) 20 20
Molar Flow (kgmole/h) 100 100
Mass Flow (kg/h) 1.03E+04 1.03E+04
Liquid Volume Flow (m3/h) 11.82 11.82
Molar Enthalpy (kJ/kgmole) 1.59E+04 1.59E+04
Mass Enthalpy (J/kg) 1.54E+05 1.54E+05
Molar Entropy (kJ/gmole-C) 4.92E-02 4.92E-02
Mass Entropy (kJ/g-C) 4.76E-04 4.76E-04
Heat Flow (kJ/h) 1.59E+06 1.59E+06

Properties : D3 @COL1 Overall Vapour Phase Liquid Phase
Temperature: (C) 129.3 129.3 129.3
Pressure: (psig) 20 20 20
Mass Flow (kg/h) 3053 0 3053
Liquid Volume Flow (m3/h) 3.493 0 3.493
Molar Entropy (kJ/gmole-C) -6.90E-02 -2.25E-03 -6.90E-02
Mass Entropy (kJ/g-C) -7.91E-04 -2.65E-05 -7.91E-04
Heat Flow (kJ/h) 1.47E+06 0 1.47E+06

Properties : B3 @COL1 Overall Vapour Phase Liquid Phase
Overall Vapour Phase Liquid Phase
Temperature: (C) 185.2 185.2 185.2
Pressure: (psig) 20 20 20
Mass Flow (kg/h) 7283 0 7283
Liquid Volume Flow (m3/h) 8.327 0 8.327
Molar Enthalpy (kJ/kgmole) 5852 4.19E+04 5852
Molar Entropy (kJ/gmole-C) 0.1133 0.1996 0.1133
Heat Flow (kJ/h) 3.80E+05 0 3.80E+05


90

SUMMARY
Tray
Summary
Flow Basis:
Molar Reflux Ratio: 2.493
Temp. Pressure Liquid Vapour Feeds Draws Duties
(C) (psig) (kgmole/h) (kgmole/h) (kgmole/h) (kgmole/h) (KJ/h)
Condenser 129.3 20 87.25 35 L -3.89E6
1__Main TS 135 20 86.57 122.3
2__Main TS 138.3 20 86.1 121.6
3__Main TS 140.5 20 85.41 121.1
4__Main TS 142.4 20 84.38 120.4
5__Main TS 144.6 20 83.02 119.4
6__Main TS 147.4 20 81.48 118
7__Main TS 150.6 20 80.02 116.5
8__Main TS 154 20 78.81 115
9__Main TS 157.1 20 77.91 113.8
10__Main TS 159.7 20 77.23 112.9
11__Main TS 161.8 20 76.67 112.2
12__Main TS 163.6 20 76.16 111.7
13__Main TS 165.2 20 177.6 111.2 100 L
14__Main TS 168.8 20 178.7 112.6
15__Main TS 171.5 20 179.4 113.7
16__Main TS 173.8 20 179.9 114.4
17__Main TS 175.8 20 180.3 114.9
18__Main TS 177.4 20 180.7 115.4
19__Main TS 178.9 20 181.1 115.7
20__Main TS 180.1 20 181.4 116.1
21__Main TS 181 20 181.7 116.4
22__Main TS 181.8 20 181.9 116.7
23__Main TS 182.4 20 182.1 116.9
24__Main TS 183 20 182.1 117.1
25__Main TS 183.5 20 182.1 117.1
26__Main TS 184.2 20 181.9 117.1
Reboiler 185.2 20 116.9 65 L 4.14E+06


91

f. It is noted from the solution for (c) that the heat duty for the reboiler needed to meet the
design specifications is 4.14E+06 KJ/h. If this value is reduced by 20%, that is, to
3.312+06 KJ/h, then clearly, this new specification is substituted for one of the others. It
is not possible to meet both of the product specifications simultaneously for the lower
level of reboiler heat duty. The following table indicates the impact of possible alternative
design specifications accounting for fouling. Note that cases B and C, in which one of the
two product specifications is maintained leads to a serious reduction in the recovery of the
species whose specification is sacrifices. In contrast, with case D, it is possible to back off
both of the specifications simultaneously, and to recover at least 93% of both of the
desired products even when the reboiler is fouled (20% less duty).

Case Specification 1 Specification 2 Outcome
A Toluene
recovery, 0.99
o-Xylene
recovery, 0.994
Base case design, with RR
= 2.493
B Reboiler Duty,
3.312+06 KJ/h
o-Xylene
recovery, 0.994
RR = 2.02, and toluene
recovery drops to 0.862.
C Reboiler Duty,
3.312+06 KJ/h
Toluene
recovery, 0.99
D Reboiler Duty,
3.312+06 KJ/h
o-Xylene
recovery, 0.93


92

Exercise D.3 Solution using ASPEN.PLUS

9.1 Mass balances

Benzene 05 . 0 92 . 0 45 . 0 700 + = B D
Overall B D + = 700
Solving: lbmole/hr 2 . 378 lbmole/hr, 8 . 321 = = B D

lbmole/hr 724.1 402.3 321.8 L D V
lbmole/hr 3 . 402 8 . 321 25 . 1
= + = + =
= = = D R L

Tower dimensions

Diameter
Vapor density assume ideal gas at highest temperature = 227F

lbmole
lb
92
ft
lbmole
001993 . 0
R 687
R lbmole
atm ft
0.7302
atm 1
3 3
=

= =
RT
P
v

= 0.1834
3
ft
lb

Flooding velocity see Example 10.2

981 . 0
20
2 . 18

20

2 . 0 2 . 0
2
1
= |
.
|
\
|
= |
.
|
\
|
=
|
|
.
|
\
|
=

ST
V
V L
F ST f
F
C F U

Note: is for toluene at 227F

0341 . 0
7 . 48
1834 . 0
1 . 724
3 . 402
2
1
2
1
|
.
|
\
|
|
|
.
|
\
|
=
L
V
V
L
FP

Note: 48.7 is the density of toluene at 227F

mm 2 . 457
in
mm 4 . 25
in 18 = = TS
( )
( )
842 . 0
0341 . 0 463 . 1 755 . 0 4
2 . 457 10 127 . 8 0105 . 0

+ = e C
F

s
m
0866 . 0 0761 . 0 0105 . 0 = + =

s
ft
53 . 4
s
m
38 . 1
1834 . 0
1834 . 0 7 . 48
0866 . 0 981 . 0
2
1
= =
|
.
|
\
|
=
f
U

s
ft
85 . 3 53 . 4 85 . 0 = = U

93

( )
2
1
3
2
1
s
ft
85 . 3
ft
lb
1834 . 0 14 . 3 9 . 0
s 3600
hr 1
lbmole
lb
92
hr
lbmole
1 . 724 4
9 . 0
4
(
(
(
(
|
.
|
\
|

=
(
=
U
V
D
v

m 86 . 1 ft 09 . 6 = =
Height
( ) m 3 . 14 ft 47 10 5 . 1 1 23 4 = = + + = H

Costs
Column
Eqs. (9.7) F
M
= 1 (Fig. 9.3(c))

( ) ( ) 640 , 38 $ 86 . 1 3 . 14 780 , 1
23 . 1 87 . 0
= =
P
C

From Figs 9.3(c) and 9.3(d) F
P
= 1, F
BM
= 4.5
C
BM
= 38,640 4.5 = $173,900

Trays
Figure 9.4 f
q
= 1, N
act
= 23, F
BM
= 1.2

C
BM
= [193.04 + 22.72(1.86) + 60.38(1.86)
2
] (1.2)(23)(1) = $12,300 / tray

Tower
C
BM
= 173,900 + 12,300 = $186,200

Condenser

hr
Btu
10 92 . 9
lbmole
Btu
700 , 13
hr
lbmole
1 . 724
6
= =
C
Q

( ) ( )
F 98 . 72
120 - 179
90 - 179
ln
120 179 90 179
LM
=

= T

2 2
6
m 3 . 126 ft 360 , 1
98 . 72 100
10 92 . 9
= =
=
C
A

Eqs. (9.5)
( ) 300 , 13 $ 3 . 126 450
7 . 0
= =
P
C
Fig. 9.1(a) - 1 =
M
F , Fig 9.1(b) - 1 =
P
F , Fig. 9.1(c) 2 . 3 =
BM
F
= = 2 . 3 300 , 13
BM
C $42,600


94

Reboiler
Overall energy balance

B C D R F
BH Q DH Q FH + + = +

F C B D R
FH Q BH H D Q + + =

Let 0 =
D
H (satd liq. at 179F)
( ) F 179 227
F lbmole
Btu
5 . 43
hr
lbmole
2 . 378 0
+ =
R
Q
( ) 179 201 4 . 39 700 10 92 . 9
6
+

hr
Btu
10 1 . 10
6
=

2 2
6
m 2 . 78 ft 842
000 , 12
10 1 . 10
= =
= A
Eqs. (9.5)
( ) 510 , 9 $ 2 . 78 450
7 . 0
= =
P
C
Fig. 9.1(a) - 1 =
M
F , Fig 9.1(b) - 1 =
P
F , Fig. 9.1(c) - 2 . 3 =
BM
F
400 , 30 $ 2 . 3 510 , 9
BM
= = C

Reflux Accumulator
condensate ben.
hr
lb
480 , 56
lbmole
lb
78
hr
lbmole
1 . 724 = = V

min
ft
5 . 18
hr
ft
110 , 1
lb 7 . 50
ft 1
hr
lb
480 , 56
3 3 3
= = =
Note: 50.7 is the density of benzene at 179F

For a residence time = 5 min at half full:
Volume
3 3
m 24 . 5 ft 185 10 5 . 18 = = =
For 4 = D L :
m 19 . 1
24 . 5
3
1
3
1
=
|
.
|
\
|
=
|
.
|
\
|
=

V
D
m 76 . 4 = L

Fig. 9.3(a) 000 , 6 $ =
P
C
9.3(c) 1 , 1 = =
P M
F F
9.3(d) 0 . 3
BM
= F

000 , 18 $ 0 . 3 000 , 6
BM
= = C


95

Reflux Pump centrifugal

KW 7 . 1
s
lb ft
7376 . 0
W 1
s 3,600
hr 1
ft
in
144
in
lb
50
lb
ft
7 . 50
1
lbmole
lb
78
hr
lbmole
3 . 402
1
F
2
2
2
F
3
=

= = P m W
s
&
&

Figs. 5.49 5.51 Ulrich

800 , 3 $ =
P
C , 2 . 3 , 1 , 1
BM
= = = F F F
P M

200 , 12 $ 2 . 3 800 , 3
BM
= = C

Reboiler Pump centrifugal
hr
lbmole
700 3 . 402 + = + = F L m&

hr
lbmole
3 . 102 , 1 =
W
7376 . 0 600 , 3
144 50
7 . 48
1
92 3 . 102 , 1
1
= = P m W
s
&
&

6 . 5 = KW

Figs. 5.49 5.51 Ulrich
500 , 5 $ =
P
C , 2 . 3 , 1 , 1
BM
= = = F F F
P M

600 , 17 $ 2 . 3 500 , 5
BM
= = C

Total Bare Module Cost

Tower 186,200
Condenser 42,600
Reboiler 30,400
Reflux accumulator 18,000
Reflux pump 12,200
Reboiler pump 17,600
$307,000 - mid-1982

In mid-1999:
000 , 382 $
315
392
000 , 307 = =
TBM
C


96

Total Permanent Investment

C
TBM
= 382,000

C
site
+ C
serv
= 0.1C
TBM
= 38,200

C
DPI
$420,200

C
cont
= 0.15 C
DPI
= 63,000

C
TDC
$483,200

C
land
= 0.02 C
TDC
= 9,700
C
royal
= -
C
start
= 0.10 C
TDC
= 48,300

C
TPI
$541,200 (mid-1999)

IPE Results
IPE Cost Charts in Chapter 9 1999 Costs

Distillation Tower

Diameter (ft) 6.0 6.09
Height (ft) 47.0 47.0
C
P
($) 81,100 48,760(392/315) = 60,700
C
DML
($) 214,000
C
BM
($) 186,200(392/315) =231,700

Condenser

Area (ft
2
) 555 1,360
C
P
($) 15,000 13,300(392/315) = 16,600
C
DML
($) 57,100
C
BM
($) 42,600(392/315) = 53,000

Reboiler

Area (ft
2
) 1,332.8 842
C
P
($) 26,900 9,510(392/315) = 11,800
C
DML
($) 87,700
C
BM
($) 30,400(392/315) =37,800

Reflux Accumulator

Volume (gal) 719.8 1,384

97

Diameter (ft) 3.5 3.9
Height (ft) 10 15.6
C
P
($) 10,000 6,000(392/315) = 7,500
C
DML
($) 70,500
C
BM
($) 18,000(392/315) =22,400

Reflux Pump

Power (KW) 2.2 1.7
C
P
($) 3,400 3,800(392/315) = 4,700
C
DML
($) 22,600
C
BM
($) 12,200(392/315) =15,200

Reboiler Pump

Power (KW) 7.5 5.6
C
P
($) 4,500 5,500(392/315) = 6,800
C
DML
($) 32,100
C
BM
($) 17,600(392/315) =21,900

The equipment sizes and purchased costs are comparable with the
exception of the reboiler. IPE does not design for the heat flux of
12,000 Btu/hr ft
2
. IPE estimates the direct materials and labor costs,
C
DML
, for each equipment item. These estimates do not include the
indirect project expenses, while the bare module factors from the cost
charts include these expenses. Note, however, that the IPE estimates
of C
DML
are considerably higher than C
BM
for the reboiler and reflux
accumulator.

Total Permanent Investment

The total permanent investment is calculated in the table below. Note
that the purchased equipment cost, $145,800, is obtained from line 1
of the Contract Summary in the IPE Capital Estimate Report. The
total direct materials and labor costs are obtained from line 11,
$450,300 and $146,500, respectively. These sum to C
DML
= $596,800.
The direct installation cost is obtained by difference. The material and
manpower costs associated with G&A Overhead and Contract Fees
are obtained by adding the entries on lines 13 and 14; that is, $52,200 .
The Contractor Engineering and Indirect Costs are obtained from line
15.

98

IBL (Inside Battery Limits)
Cost $ Source

Purchased Equipment Cost 145,800
IPE Equipment List
Direct Installation Cost 451,000 By difference
Total Direct Materials and Labor Cost, C
DML
=C
DI 596,800
IPE Contract Summary
Pipe Racks (10% of C
DML
) 59,700
Recommended by Instructor
Sewers/Sumps (10% of C
DML
) 59,700 Recommended by
Instructor
Matl and Labor G&A Overhead and Contract Fees 52,200 IPE Contract Summary
Contractor Engineering 390,400 IPE Contract Summary
Indirects 358,900 IPE Contract Summary
IBL Total Bare Module Cost, C
TBM
1,517,700


99

OBL (Outside Battery Limits)

Site Preparation & Service Facil. (10% of C
TBM
) 151,800
Allocated Costs for Utilities 0
Storage 0
Environmental 0
OBL Total 151,800

Direct Permanent Investment, C
DPI
1,669,500

Contingencies (15% of C
DPI
) 250,400

Total Depreciable Capital, C
TDC
1,919,900

Land (2% of C
TDC
) 38,400
Royalty 0
Start Up (10% of C
TDC
) 192,000

Total Permanent Investment, C
TPI
2,150,300

Comparison of Results

Using the cost charts in Chapter 9, the total bare module cost, C
TBM
=
$382,000, as compared with the IPE estimate for the total direct materials and
labor cost of $596,800. This is partially due to the increase in reboiler area
due to IPEs inability to design for a heat flux of 12,000 Btu/hr ft
2
. The
remaining difference is likely due to IPEs detailed estimates of installation
costs.

Of greater consequence, the IPE estimate for the total permanent investment,
C
TPI
= $2,150,300, is substantially greater than that obtained using the cost
charts, $541,200. Although the IPE Project Type is Plant addition
suppressed infrastructure, the IPE estimates for the contractor engineering
and indirect costs are substantial. These cause the total permanent investment
to far exceed that computed using the cost charts. This is probably because
the bare module factors in the cost charts are not sufficiently large to represent
the contractor engineering and indirect costs. However, some of the IPE
estimates may be large for this distillation plant, which has only six equipment
items. When added to the costs for more typical plants, with an order-of-
magnitude more equipment items, these large estimates would have a less
significant impact on the total permanent investment.


100

Reactor Design

HYSYS.Plant

The materials supporting a course in heat transfer assume that 2-3 hours of computer
self-paced overview on reactors in general and the models available in HYSYS.Plant in
particular. The following sequence is suggested:

on Reactors in the multimedia. This consists of modules describing all of the reactor
models available in HYSYS.Plant, each illustrated by an example application. The
students should ensure that they have covered the modules describing the PFR and
the CSTR.

Session 2: The tutorial Ammonia Converter Design should be reviewed, while at the same time,
the student should develop his/her version of the simulation using HYSYS.Plant.

To reinforce their acquired capabilities, students should be assigned a homework exercise. A
typical exercise is provided.

101

Reactor Design

ASPEN PLUS

The materials supporting a course in heat transfer assume that 2-3 hours of computer
self-paced overview on reactors in general and the models available in ASPEN PLUS in
particular. The following sequence is suggested:

on Reactors in the multimedia. This consists of modules describing all of the
reactor models available in ASPEN PLUS, each illustrated by an example
application. The students should ensure that they have covered the modules
describing the PFR and the CSTR.

Session 2: The tutorial Ammonia Converter Design should be reviewed, while at the same time,
the student should develop his/her version of the simulation using ASPEN PLUS.

To reinforce their acquired capabilities, students should be assigned a homework exercise. A
typical exercise is provided.


102

Exercise E.1 Reactor Design Problem

Maleic anhydride is manufactured by the oxidation of benzene over vanadium
pentoxide catalyst (Westerlink and Westerterp, 1988), with excess air. The following reactions
occur:
Reaction 1:
O H 2 CO 2 O H C O H C
2 2 3 2 4 2
2
9
6 6
+ + +
(1)
Reaction 2:
O H CO 4 3O O H C
2 2 2 3 2 4
+ +
(2)
Reaction 3:
O H 3 CO 6 O H C
2 2 2 2
15
6 6
+ +
(3)
Since air is supplied in excess, the reaction kinetics are approximated as first-order rate laws:

A P B
C
r
1
r
2

r
3

P A
C k r , C k r
2 2 1 1
= = and
A
C k r
3 3
=
(4)
In the above, A is benzene, P is maleic anhydride (the desired product), and B and C are the
undesired byproducts (H
2
O and CO
2
), with kinetic rate coefficients in s
-1
:
[ ]
[ ]
[ ]

=
=
=
RT 000 21 exp 26
RT 000 30 exp 000 70
RT 000 25 exp 300 4
3
2
1
, k
, , k
, , k
(5)
In Eq. (5), the activation energies are in kcal/kgmol.

The objective of this exercise is to design a plug flow reactor to maximize the yield of
MA, for a feed steam of 200 kgmol/hr of air (21 mol % O
2
and 79 mol % N
2
) and 2 kgmol/hr of
benzene, at 200
o
C and 1.5 Bar. Assume a reactor diameter of 2 m, neglect pressure drops, and
design for adiabatic operation.

a) For fixed reactor tube length of 7 m, define the optimum reactor feed temperature to
maximize MA yield (Hint: check values in the range 700-800
o
C)
b) Investigate the effect of both reactor tube length, in the range 5-15 m, and feed
temperature, in the range 700-800
o
C, on the MA yield. Define the optimum combination
of both of these variables.


103

Exercise E.1 Solution using HYSYS.Plant
Solution reproduced in: REACT_EX_1.hsc

a) The process is simulated using the Antoine equation for vapor pressure estimation (in the
reaction conditions, the system is in the vapor phase, so that VLE calculations are not
performed anyway). A PFD for the process is set up as below, noting that a heater, E-101,
is installed to bring the reactor feed to the desired temperature.

The Databook is used to investigate the sensitivity of yield (computed as the ratio of the
molar flow rate of MA in PRODUCTS and the molar flow rate of benzene in S-2, 2
kgmol/hr), and selectivity (computed as the ratio of MA in PRODUCTS and the molar
flow rates in the same stream of the byproducts, H
2
O and CO
2
). A parametric run for a
reactor of length 7 m is shown next.


104

b) It is noted that for a reactor tube length of 7 m, the optimal feed temperature appears to be
780
o
C; here the yield is just over 22% and the selectivity is about 16%. An additional
sensitivity analysis, testing the variation of both feed temperature and reactor tube length,
gives the following result:

The peak in yield occurs approximately at a reactor tube length of 14 m, with a feed
temperature of 710 oC. Complete results for these operating conditions are listed below.

Fluid Package: Basis-1
Property Package: Antoine

Plug Flow Reactor: PFR-100

PARAMETERS
Physical Parameters
Type : User Specified
Pressure Drop: 0.0000
bar
Heat Transfer : Heating
Type : Direct Q Value Energy Stream : Duty : 0.0000 kcal/h
Dimensions
Total Volume: 43.98 m3 Length: 14.00 m Diameter: 2.000 m Number of Tubes: 1
Wall Thickness: 5.000e-003 m Void Fraction: 1.0000 Void Volume: 43.98 m3
Reaction Info

105

Reaction Set: Global Rxn Set Initialize From: Current
Integration Information
Number of Segments: 30
Minimum Step Fraction:
1.0e-06
Minimum Step Length:
1.4e-05 m

Length (m) Temperature (C)
0.233 712.9
0.7 715.9
1.167 719.1
1.633 722.3
2.1 725.7
2.567 729.2
3.033 732.9
3.5 736.8
3.967 740.8
4.433 745
4.9 749.5
5.367 754.2
5.833 759.1
6.3 764.4
6.767 769.9
7.233 775.9
7.7 782.2
8.167 789
8.633 796.4
9.1 804.3
9.567 813
10.033 822.6
10.5 833.1
10.967 844.9
11.433 858.3
11.9 873.6
12.367 891.4
12.833 912.6
13.3 938.4
13.767 971.2


106

Mole Fractions

Length (m) Oxygen CO2 H2O Benzene MaleicAnhydr Nitrogen
0.2333 0.2077 0.0001 0.0001 0.0098 0.0001 0.7822
0.7 0.2074 0.0002 0.0002 0.0098 0.0001 0.7822
1.167 0.2071 0.0004 0.0004 0.0097 0.0002 0.7822
1.633 0.2068 0.0005 0.0005 0.0097 0.0002 0.7823
2.1 0.2065 0.0007 0.0006 0.0096 0.0003 0.7823
2.567 0.2062 0.0008 0.0008 0.0095 0.0004 0.7823
3.033 0.2059 0.001 0.0009 0.0095 0.0004 0.7823
3.5 0.2056 0.0011 0.0011 0.0094 0.0005 0.7824
3.967 0.2052 0.0013 0.0012 0.0093 0.0006 0.7824
4.433 0.2048 0.0015 0.0014 0.0092 0.0006 0.7824
4.9 0.2044 0.0017 0.0016 0.0091 0.0007 0.7824
5.367 0.204 0.0019 0.0017 0.0091 0.0008 0.7825
5.833 0.2036 0.0021 0.0019 0.009 0.0009 0.7825
6.3 0.2031 0.0024 0.0021 0.0089 0.0009 0.7825
6.767 0.2026 0.0026 0.0024 0.0088 0.001 0.7825
7.233 0.2021 0.0029 0.0026 0.0087 0.0011 0.7826
7.7 0.2016 0.0032 0.0028 0.0086 0.0012 0.7826
8.167 0.201 0.0036 0.0031 0.0084 0.0013 0.7826
8.633 0.2003 0.004 0.0034 0.0083 0.0014 0.7826
9.1 0.1996 0.0044 0.0037 0.0082 0.0015 0.7827
9.567 0.1989 0.0048 0.004 0.0081 0.0016 0.7827
10.03 0.1981 0.0053 0.0043 0.0079 0.0017 0.7827
10.5 0.1971 0.0059 0.0047 0.0077 0.0018 0.7827
10.97 0.1961 0.0066 0.0052 0.0076 0.0019 0.7827
11.43 0.1949 0.0073 0.0056 0.0074 0.002 0.7827
11.9 0.1936 0.0082 0.0062 0.0072 0.0021 0.7827
12.37 0.1921 0.0093 0.0068 0.0069 0.0022 0.7827
12.83 0.1903 0.0106 0.0076 0.0066 0.0023 0.7827
13.3 0.188 0.0122 0.0085 0.0063 0.0023 0.7826
13.77 0.1852 0.0144 0.0096 0.0059 0.0024 0.7825

PROPERTIES
S-2 Overall Vapour Phase
Temperature: (C) 710 710
Pressure: (bar) 1.5 1.5
Molar Flow (kgmole/h) 202 202
Mass Flow (kg/h) 5926 5926
Molar Enthalpy (kcal/kgmole) 5507 5507
Mass Enthalpy (kcal/kg) 187.7 187.7
Molar Entropy (kJ/kgmole-C) 189 189
Mass Entropy (kJ/kg-C) 6.442 6.442
Heat Flow (kcal/h) 1.11E+06 1.11E+06


107

PRODUCTS Overall Vapour Phase
Temperature: (C) 971.2 971.2
Pressure: (bar) 1.5 1.5
Molar Flow (kgmole/h) 201.9 201.9
Mass Flow (kg/h) 5926 5926
Molar Enthalpy (kcal/kgmole) 5509 5509
Mass Enthalpy (kcal/kg) 187.7 187.7
Molar Entropy (kJ/kgmole-C) 197.9 197.9
Mass Entropy (kJ/kg-C) 6.742 6.742
Heat Flow (kcal/h) 1.11E+06 1.11E+06


108

Exercise E.1 Solution using ASPEN PLUS

a. The reactor is simulated using a 7 m tube length, with its feed temperature
varied between 700 and 800C. The results below can be reproduced using the
file MA.BKP.

MIX-100
E-101 PFR-100
AIR
S-1 S-2 PRODUCTS
BENZENE

ASPEN PLUS Program

TITLE 'MALEIC ANHYDRIDE MANUFACTURE'
IN-UNITS MET VOLUME-FLOW='cum/hr' ENTHALPY-FLO='MMkcal/hr' &
HEAT-TRANS-C='kcal/hr-sqm-K' PRESSURE=bar TEMPERATURE=C &
VOLUME=cum DELTA-T=C HEAD=meter MOLE-DENSITY='kmol/cum' &
MASS-DENSITY='kg/cum' MOLE-ENTHALP='kcal/mol' &
MASS-ENTHALP='kcal/kg' HEAT=MMkcal MOLE-CONC='mol/l' &
PDROP=bar
DESCRIPTION "
General Simulation with Metric Units :
C, bar, kg/hr, kmol/hr, MMKcal/hr, cum/hr.
"
NOASPENPCD
COMPONENTS
BENZENE C6H6 /
MA C4H2O3 /
WATER H2O /
OXYGEN O2 /
NITROGEN N2 /
CO2 CO2
FLOWSHEET
BLOCK MIX-100 IN=AIR BENZENE OUT=S-1
BLOCK E-101 IN=S-1 OUT=S-2
BLOCK PFR-100 IN=S-2 OUT=PRODUCTS
PROPERTIES IDEAL
STREAM AIR
SUBSTREAM MIXED TEMP=200. PRES=1.5 MOLE-FLOW=200.
MOLE-FRAC OXYGEN 0.21 / NITROGEN 0.79
STREAM BENZENE
SUBSTREAM MIXED TEMP=200. PRES=1.5 MOLE-FLOW=2.
MOLE-FRAC BENZENE 1.
BLOCK MIX-100 MIXER
PARAM PRES=1.5
BLOCK E-101 HEATER
BLOCK PFR-100 RPLUG
PARAM TYPE=ADIABATIC LENGTH=7. <meter> DIAM=2. <meter> &
PRES=1.5
REACTIONS RXN-IDS=R-1
EO-CONV-OPTI
SENSITIVITY S-1

109

DEFINE FMAPR MOLE-FLOW STREAM=PRODUCTS SUBSTREAM=MIXED &
COMPONENT=MA
DEFINE FBENS2 MOLE-FLOW STREAM=S-2 SUBSTREAM=MIXED &
COMPONENT=BENZENE
DEFINE FWATPR MOLE-FLOW STREAM=PRODUCTS SUBSTREAM=MIXED &
COMPONENT=WATER
DEFINE FCO2PR MOLE-FLOW STREAM=PRODUCTS SUBSTREAM=MIXED &
COMPONENT=CO2
F SELEC = FMAPR/(FWATPR + FCO2PR)
F YIELD = FMAPR/FBENS2
TABULATE 1 "SELEC" COL-LABEL="SELEC"
TABULATE 2 "YIELD" COL-LABEL="YIELD"
VARY BLOCK-VAR BLOCK=E-101 VARIABLE=TEMP SENTENCE=PARAM
RANGE LOWER="700" UPPER="800" INCR="5"
REACTIONS R-1 POWERLAW
REAC-DATA 1 PHASE=V
REAC-DATA 2 PHASE=V
REAC-DATA 3 PHASE=V
RATE-CON 1 PRE-EXP=4300. ACT-ENERGY=25000. <kcal/kmol>
STOIC 1 MIXED BENZENE -1. / OXYGEN -4.5 / MA 1. / CO2 &
2. / WATER 2.
STOIC 2 MIXED MA -1. / OXYGEN -3. / CO2 4. / WATER &
1.
STOIC 3 MIXED BENZENE -1. / OXYGEN -7.5 / CO2 6. / &
WATER 3.
POWLAW-EXP 1 MIXED BENZENE 1. / MIXED OXYGEN 0. / MIXED &
MA 0. / MIXED CO2 0. / MIXED WATER 0.
POWLAW-EXP 2 MIXED MA 1. / MIXED OXYGEN 0. / MIXED CO2 &
0. / MIXED WATER 0.
POWLAW-EXP 3 MIXED BENZENE 1. / MIXED OXYGEN 0. / MIXED &
CO2 0. / MIXED WATER 0.
Stream Variables

AIR BENZENE PRODUCTS S-1 S-2
----------------------------
STREAM ID AIR BENZENE PRODUCTS S-1 S-2
FROM : ---- ---- PFR-100 MIX-100 E-101
TO : MIX-100 MIX-100 ---- E-101 PFR-100
SUBSTREAM: MIXED
PHASE: VAPOR VAPOR VAPOR VAPOR VAPOR
COMPONENTS: KMOL/HR
BENZENE 0.0 2.0000 1.7957 2.0000 2.0000
MA 0.0 0.0 0.1817 0.0 0.0
WATER 0.0 0.0 0.4312 0.0 0.0
OXYGEN 42.0000 0.0 41.0127 42.0000 42.0000
NITROGEN 158.0000 0.0 158.0000 158.0000 158.0000
CO2 0.0 0.0 0.4991 0.0 0.0
TOTAL FLOW:
KMOL/HR 200.0000 2.0000 201.9205 202.0000 202.0000
KG/HR 5770.0794 156.2273 5926.3067 5926.3067 5926.3067
CUM/HR 5245.2337 52.4523 1.1505+04 5297.6860 1.0896+04
STATE VARIABLES:
TEMP C 200.0000 200.0000 754.7921 200.0000 700.0000
PRES BAR 1.5000 1.5000 1.5000 1.5000 1.5000
VFRAC 1.0000 1.0000 1.0000 1.0000 1.0000
LFRAC 0.0 0.0 0.0 0.0 0.0
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
KCAL/MOL 1.2291 24.3408 5.3789 1.4579 5.3768
KCAL/KG 42.6010 311.6074 183.2702 49.6925 183.2702
MMKCAL/HR 0.2458 4.8682-02 1.0861 0.2945 1.0861
ENTROPY:
CAL/MOL-K 3.4826 -26.4277 9.4157 3.2968 8.9069
CAL/GM-K 0.1207 -0.3383 0.3208 0.1124 0.3036
DENSITY:
KMOL/CUM 3.8130-02 3.8130-02 1.7551-02 3.8130-02 1.8539-02

110

KG/CUM 1.1001 2.9785 0.5151 1.1187 0.5439
AVG MW 28.8504 78.1136 29.3497 29.3382 29.3382

BLOCK: PFR-100 MODEL: RPLUG
-----------------------------
*** INPUT DATA ***
REACTOR TYPE:
ADIABATIC
VAPOR FLUID PHASE
REACTOR TUBE LENGTH METER 7.0000
DIAMETER METER 2.0000
NUMBER OF REACTOR TUBES 1
REACTOR VOLUME CUM 21.991
*** RESULTS ***
REACTOR DUTY MMKCAL/H 0.00000E+00
RESIDENCE TIME HR 0.19685E-02
REACTOR MINIMUM TEMPERATURE C 700.00
REACTOR MAXIMUM TEMPERATURE C 754.79
*** RESULTS PROFILE (PROCESS STREAM) ***
LENGTH PRESSURE TEMPERATURE VAPOR FRAC RES-TIME
METER BAR C HR
0.00000E+00 1.5000 700.00 1.0000 0.00000E+00
0.70000 1.5000 704.18 1.0000 0.20124E-03
1.4000 1.5000 708.57 1.0000 0.40166E-03
2.1000 1.5000 713.18 1.0000 0.60121E-03
2.8000 1.5000 718.06 1.0000 0.79980E-03
3.5000 1.5000 723.22 1.0000 0.99742E-03
4.2000 1.5000 728.70 1.0000 0.11940E-02
4.9000 1.5000 734.54 1.0000 0.13894E-02
5.6000 1.5000 740.81 1.0000 0.15837E-02
6.3000 1.5000 747.52 1.0000 0.17768E-02
7.0000 1.5000 754.79 1.0000 0.19685E-02
*** TOTAL MOLE FRACTION PROFILE (PROCESS STREAM) ***
LENGTH BENZENE MA WATER OXYGEN
METER
0.00000E+00 0.99010E-02 0.00000E+00 0.00000E+00 0.20792
0.70000 0.98209E-02 0.76249E-04 0.16503E-03 0.20755
1.4000 0.97375E-02 0.15496E-03 0.33777E-03 0.20717
2.1000 0.96503E-02 0.23630E-03 0.51903E-03 0.20676
2.8000 0.95588E-02 0.32064E-03 0.71030E-03 0.20634
3.5000 0.94628E-02 0.40802E-03 0.91208E-03 0.20588
4.2000 0.93616E-02 0.49880E-03 0.11262E-02 0.20540
4.9000 0.92548E-02 0.59306E-03 0.13535E-02 0.20489
5.6000 0.91416E-02 0.69119E-03 0.15963E-02 0.20434
6.3000 0.90214E-02 0.79328E-03 0.18559E-02 0.20375
7.0000 0.88931E-02 0.89979E-03 0.21357E-02 0.20311
LENGTH NITROGEN CO2
METER
0.00000E+00 0.78218 0.00000E+00
0.70000 0.78221 0.17757E-03
1.4000 0.78224 0.36562E-03
2.1000 0.78226 0.56546E-03
2.8000 0.78229 0.77933E-03
3.5000 0.78233 0.10081E-02
4.2000 0.78236 0.12549E-02
4.9000 0.78239 0.15208E-02
5.6000 0.78242 0.18102E-02

111

6.3000 0.78245 0.21252E-02
7.0000 0.78249 0.24719E-02
The variation of the selectivity (ratio of maleic anhydride in the product stream to the sum
of the water and CO
2
in the product stream) and the yield (ratio of maleic anhydride in the
product stream to the benzene in stream S-2) are graphed as a function of the reactor feed
temperature:

Sensitivity S-1 Results Summary
VARY 1 E-101 PARAM TEMP C

700 725 750 775 800
0
.
1
0
.
1
5
0
.
2
0
.
2
5
0
0
.
0
5
0
.
1
0
.
1
5
0
.
2
SELEC
YIELD

Note that for a reactor tube length of 7 m, the yield is a maximum at approximately 780C.

b. Results are not presented for the variation with the reactor length.

Workshop 12

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Workshop 12

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Materials for Participants Module Instruction Sequence and Problem Statements by Core Course

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