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

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.

– 1 –

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

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.

– 2 –

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

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.

– 3 –

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

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.

– 4 –

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

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. – 5 –

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

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: → CO + 3 H CH OH + H O 2 2 ← 3 2

S-6 Adiabatic Converter Heater Feed 500C S-1 S-2 S-3 S-5 0 Ps 400 C Purge

Cooler T S-4 s Separator

Product

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 oC 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 TS 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 CH4 0.1 Argon 0.1 Flow rate (kgmol/hr) 1000 Temperature (oC) 50 Pressure (MPa) PS

Table 2. Conversion as a function of pressure

PS [MPa] CO2 conversion [%] PS [MPa] CO2 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

– 6 –

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

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

Table 3. Operating specifications by student group.

Group No. TS (°C) PS (MPa) Group No. TS (°C) PS (MPa) 1 10 16 10 2 20 5.0 17 20 17.5 3 30 18 30 4 10 19 10 5 20 7.5 20 20 20.0 6 30 21 30 7 10 22 10 8 20 10.0 23 20 22.5 9 30 24 30 10 10 25 10 11 20 12.5 26 20 25.0 12 30 27 30 13 10 28 10 14 20 15.0 29 20 30.0 15 30 30 30

2. An operating window for the process is defined by a closed polygon in TS –Purge space, within which, the following constraints are met: 200 < Purge < 1000 kg/h o 0 < TS < 40 C Mass flow rate of recycle ≤ 35 T/hr CO2 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 TS and Purge flow rate, as shown below.

Operating C] o [

s Window

T

Purge [kg/h]

HYSYS.Plant Solution

– 7 –

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

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

– 8 –

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

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 932°F 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 77°F and 200 atm, is comprised of:

lbmole/hr Mole fraction H2 24 0.240 N2 74.3 0.743 Ar 0.6 0.006 CH4 1.1 0.011 100.0 1.000

ASPEN PLUS Solution

– 9 –

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

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

– 10 –

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

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 37°F 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 4°C 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

– 11 –

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

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: CO2 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 TS and Purge. Sample operating windows in TS –Purge space, for

flowsheets designed for PS = 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, TS. In

constrast, the purity constraint leads to a lower limit on TS, 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) PS = 5 MPa; (b) PS = 30 MPa

– 12 –

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

TS 40 oC

Operating Window Purity

Production

Recycle 0 oC Purge Figure 2: Interpretation of constraints bounding the operating window.

The selection of operating point should consider the cost of energy, which increases significantly as TS 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.

– 13 –

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

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.

VP

FEED1 F1 M1 FEED2 S2

S5 S3

S4 LP S1

P1

ASPEN PLUS Simulation Flowsheet VP

FEED1 M1 S2 F1 FEED2 MIXER FLASH2

S5 S3

S4* S4 S1 LP P1 $OLVER01 PUMP FSPLIT

– 14 –

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

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 PRES=100 MASS-FLOW METHANE 50 / ETHANE 100 / PROPANE 700 STREAM FEED2 SUBSTREAM MIXED TEMP=85 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 PRES=25 BLOCK P1 PUMP PARAM PRES=100

Calculation Sequence

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

– 15 –

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

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 COMPONENTS: LBMOL/HR 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 – 16 –

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

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

– 17 –

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

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.

MUL2 S3 MULT VP

FEED1 MIX1 D1 F1 MUL1 S4 P1 S5 M1 S2 FEED2 MIXER S1 DUPL S1A FLASH2 MULT PUMP MIXER

LP

LPB S1B D2 DUPL LPA

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 850 lb/hr

F T $OLVER02 VP

FEED1 S2 S2* F1 T M1 $OLVER01 FEED2 MIXER FLASH2

S5 S3

LP P1 S4 S1 PUMP FSPLIT

– 18 –

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

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"

Calculation Sequence

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 COMPONENTS: LBMOL/HR 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

– 19 –

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

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 COMPONENTS: LBMOL/HR 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

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) 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 *** – 20 –

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

OUTLET TEMPERATURE F 24.494 OUTLET PRESSURE PSI 25.000 HEAT DUTY BTU/HR -0.17283E+07 VAPOR FRACTION 0.12541

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

– 21 –

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

Exercise A.2 Solution using ASPEN.PLUS

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

Purge Purge Purge/Recycle PROD Recycle Purge Mole Mole Ratio flow rate, flow rate, flow rate, fraction fraction lbmole/h lbmole/h lbmole/h Ar CH4 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 CH4 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 H2 and N2 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.

– 22 –

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

Exercise A.3 Solution using ASPEN.PLUS

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

V1

F1

FLASH2

V2 L1

F2 FEED FLASH2 V3 L2

F3

FLASH2

V4 L3

F4

FLASH2

L4

ASPEN PLUS Program

IN-UNITS ENG DEF-STREAMS CONVEN ALL 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 " DATABANKS PURE10 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE10 / AQUEOUS / SOLIDS / INORGANIC 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 / – 23 –

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

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 – 24 –

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

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 – 25 –

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

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 PARAM TEMP=120. PRES=284.7 BLOCK F3 FLASH2 PARAM TEMP=96. PRES=63.7 BLOCK F4 FLASH2 PARAM TEMP=85. PRES=27.7

Calculation Sequence

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 COMPONENTS: LBMOL/HR 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: – 26 –

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

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 COMPONENTS: LBMOL/HR 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

– 27 –

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

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.

– 28 –

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

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

– 29 –

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

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 doesn’t 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

– 30 –

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

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.1 Refrigerator Design Problem Exercise B.2 VLLE Problem Exercise B.3 VLE Data Regression Problem Exercise B.4 Chemical Equilibrium Problem Exercise B.5 Selection of an Environmentally-friendly Refrigerant

– 31 –

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

Exercise B.1 Refrigerator Design Problem

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

– 32 –

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

Exercise B.2 VLLE Problem

An equimolar stream of benzene, toluene, and water at 150 kgmole/hr, 100°C, and 7 bar enters a flash vessel. It is expanded to 0.5 bar and cooled to 60°C. 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.

HYSYS.Plant Solution ASPEN PLUS Solution

– 33 –

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

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

– 34 –

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

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

Exercise B.4 Chemical Equilibrium Problem

An equimolar stream of ammonia, oxygen, nitrogen oxide (NO), nitrogen dioxide (NO2), and water at 100 lbmole/hr, 300°F, 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 -20°C and rejects heat at 32°C. Desirable refrigerants should have Ps{-20°C} > 1.4 bar, Ps{32°C} < 14 bar, v ∆H {-20°C} > 18.4 kJ/mol, and cpl{6°C} > 18.4 kJ/mol. For the candidate groups, CH3, CH, F, and S, formulate a mixed-integer nonlinear program and use GAMS to solve it. Hint: maximize the objective function, ∆Hv{-20°C}.

– 35 –

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

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 – 36 –

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

Temperature: (F) 97.52 97.52 97.52 Pressure: (psia) 185 185 185 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) -5.10E+04 -5.10E+04 -4.50E+04 Molar Entropy (Btu/lbmole-F) 22.65 22.65 33.46 Heat Flow (Btu/hr) -6.25E+06 -6.25E+06 0

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 Pressure: (psia) 40 40 40 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 Molar Enthalpy (Btu/lbmole) -5.10E+04 -4.61E+04 -5.38E+04 Molar Entropy (Btu/lbmole-F) 23.29 33.9 17.33 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)):

 T  LW = W + 1− 0 Q in   Evap  TEvaporator  = 70 kW + (1 – 537/470)×176.3 kW = 70 – 25.1 = 44.9 kW

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

main goal − 25.1 η = = = 0.359 (−) goal main goal − LW − 25.1− 44.9

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.

– 37 –

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

Exercise B.1 Solution using ASPEN.PLUS

a. Solution using ASPEN PLUS. This solution can be reproduced using the file, REFRIG.BKP.

S1 C1

S2

EVAP1 COND1

V1

S4 S3

ASPEN PLUS Program

TITLE 'PROPANE REFRIGERATION LOOP' IN-UNITS ENG DEF-STREAMS CONVEN ALL 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 " DATABANKS PURE11 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE11 / AQUEOUS / SOLIDS / INORGANIC 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 ------

– 38 –

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

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 COMPONENTS: LBMOL/HR 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

Selected Process Unit Output

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

– 39 –

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

BLOCK: COND1 MODEL: HEATER ------*** RESULTS *** OUTLET TEMPERATURE F 97.564 OUTLET PRESSURE PSI 185.00 HEAT DUTY BTU/HR -0.79498E+06

BLOCK: EVAP1 MODEL: HEATER ------*** RESULTS *** OUTLET TEMPERATURE F 0.13477 OUTLET PRESSURE PSI 38.370 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)):

 T  LW = W + 1− 0 Q in   Evap  TEvaporator 

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

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

main goal η = (−) goal main goal − LW

− 25.1 = = 0.359 − 25.1− 44.9 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.

– 40 –

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

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.

– 41 –

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

Exercise B.2 Solution using ASPEN.PLUS

Solution using the FLASH3 subroutine in ASPEN PLUS. This solution can be reproduced using the file, VLLE.BKP.

VAP

F1

FEED LIQ1

LIQ2

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 DEF-STREAMS CONVEN ALL SIM-OPTIONS NPHASE=3 DESCRIPTION " General Simulation with Metric Units : C, bar, kg/hr, kmol/hr, MMKcal/hr, cum/hr. Property Method: None Flow basis for input: Mole Stream report composition: Mole flow DATABANKS PURE10 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE10 / AQUEOUS / SOLIDS / INORGANIC 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 PARAM TEMP=60. PRES=0.5 STREAM-REPOR MOLEFLOW

– 42 –

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

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.

Selected Process Unit Output

BLOCK: F1 MODEL: FLASH3 ------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 VAPOR FRACTION 0.65813 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.

– 43 –

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

Exercise B.3 Solution using ASPEN.PLUS

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:

aij = -0.464, aji = 0.4665, bij = 137.8, bji = -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:

aij = -0.464, aji = 0.4665, bij = 14.96, bji = -441.7

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

– 44 –

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

Exercise B.4 Solution using ASPEN PLUS

Chemical Equilibrium Problem Solution a. NC = 5, R = rank of atom matrix = 3. Hence, NR = no. of independent chemical reactions = NC – 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.

VAP

R1

FEED

LIQ

Note that when using the REQUIL subroutine, streams for both vapor and liquid effluents must be defined, even when one doesn’t exist.

The two independent reactions are selected arbitrarily:

NO + 1/2O2 = NO2 4NH3 + 5O2 = 4NO + 6H2O

ASPEN PLUS Program

TITLE 'CHEMICAL EQUILIBRIUM - K-VALUES' IN-UNITS ENG DEF-STREAMS CONVEN ALL DATABANKS PURE10 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE10 / AQUEOUS / SOLIDS / INORGANIC 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. 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. 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 0.0/20.0 STREAM-REPOR MOLEFLOW

– 45 –

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

Stream Variables

FEED LIQ VAP ------STREAM ID FEED LIQ VAP FROM : ---- R1 R1 TO : R1 ------SUBSTREAM: MIXED PHASE: VAPOR MISSING VAPOR COMPONENTS: LBMOL/HR 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

Selected Process Unit Output

*** RESULTS *** OUTPUT TEMPERATURE F 300.00 OUTPUT PRESSURE PSI 14.696 HEAT DUTY BTU/HR -0.16934E+07 VAPOR FRACTION 1.0000

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.

– 46 –

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

R1

FEED VAP

LIQ

Note that when using the REQUIL subroutine, streams for both vapor and liquid effluents must be defined, even when one doesn’t 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. Stream Variables

FEED LIQ VAP ------STREAM ID FEED LIQ VAP FROM : ---- R1 R1 TO : R1 ------

SUBSTREAM: MIXED PHASE: VAPOR MISSING VAPOR COMPONENTS: LBMOL/HR 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. – 47 –

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

Selected Process Unit Output

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 HEAT DUTY BTU/HR -0.16932E+07 VAPOR FRACTION 1.0000 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

– 48 –

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

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.

– 49 –

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

Heat Transfer

ASPEN PLUS

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 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. – 50 –

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

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 100oF and 90 psia. The styrene enters on the shell side at a flow rate of 150,000 lb/hr at 300oF 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-ft2-oF)/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).

HYSYS.Plant Solution ASPEN PLUS Solution

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 ft2 °F (assumed constant) Cost of Super-heater Fuel = 0.02 $/Btu h-1 y-1 Bare Modules Cost (for kettle reboiler), in $: CAA=−exp 11.967 0.8709 ln( ) + 0.09005 ln( ) 2 , B { [] []} where A is the exchanger surface area in ft2. The annualized equipment cost, assuming 20% depreciation, is CA = 1.05×4.8×CB/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.

HYSYS.Plant Solution

– 51 –

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

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 oF Styrene exit temperature = 179.3 oF 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 ft2 per shell. Heat duty = 8.70×106 Btu/hr Estimated shell-side film coefficient =110.3 Btu/hr-ft2-R Estimated tube-side film coefficient = 393.7Btu/hr-ft2-R Estimated overall heat transfer coefficient = 58.1 Btu/hr-ft2-R Log-mean temperature difference based on countercurrent flow = 46.5 oF

Correction factor for 2-8 exchanger, FT = 0.750

– 52 –

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

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 = 255.0oF Styrene exit temperature = 178.1oF 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 ft2 Heat duty = 8,625,200 Btu/hr 2 Estimated (Uo) clean = 90.4 Btu/hr-ft -R 2 Estimated (Uo ) dirty = 64.0 Btu/hr-ft -R Log-mean temperature difference based on countercurrent flow = 41.9oF

Correction factor for 2-8 exchanger, FT = 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 DEF-STREAMS CONVEN ALL DESCRIPTION " General Simulation with English Units : F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr. Property Method: None Flow basis for input: Mole – 53 –

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

Stream report composition: Mole flow DATABANKS PURE11 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE11 / AQUEOUS / SOLIDS / INORGANIC 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. & SHELL-BND-SP=0.25 TUBES TOTAL-NUMBER=1024 PATTERN=SQUARE LENGTH=16. & INSIDE-DIAM=0.584 OUTSIDE-DIAM=0.75 PITCH=1. & TCOND=25. NOZZLES SNOZ-INDIAM=2.469 SNOZ-OUTDIAM=2.469 & TNOZ-INDIAM=4.026 TNOZ-OUTDIAM=4.026 SEGB-SHELL NBAFFLE=38 NSEAL-STRIP=1 BAFFLE-CUT=0.25 & SHELL-BFL-SP=0.1 TUBE-BFL-SP=0.1 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-REPOR MOLEFLOW ------Stream Variables

– 54 –

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

COLDIN COLDOUT HOTIN HOTOUT ------STREAM ID COLDIN COLDOUT HOTIN HOTOUT FROM : ---- H1 ---- H1 TO : H1 ---- H1 ---- SUBSTREAM: MIXED PHASE: LIQUID LIQUID LIQUID LIQUID COMPONENTS: LBMOL/HR 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

Selected Process Unit Output

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 – 55 –

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

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

– 56 –

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

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 PROPERTY OPTION SET: RK-SOAVE STANDARD RKS EQUATION OF STATE

------! 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 PROPERTY OPTION SET: RK-SOAVE STANDARD RKS EQUATION OF STATE ------! DUTY ! PRES ! TEMP ! VFRAC ! !!!!! !!!!!

– 57 –

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

!!!!! ! 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 ! ------

– 58 –

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

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 oF (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 oF, at which the annual cost is $369,500. For this value of pre-heat temperature, the required heat transfer area is 7,110 ft2 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 oF (computed by setting the vapor fraction to unity), for which the annual cost is $765,300.

– 59 –

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

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.

– 60 –

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

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.

– 61 –

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

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 90-120°F and the bubble-point of the condensed overhead vapor be 130°F or higher. This assures that the minimum approach temperature difference is 10°F. 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 × Rmin 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.

HYSYS.Plant Solution ASPEN PLUS Solution

– 62 –

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

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 25-40°C and the bubble-point of the condensed overhead vapor 50°C, 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 × Rmin 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?

HYSYS.Plant Solution

– 63 –

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

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 201°F. The distillate contains 92 mol% benzene and boils at 179°F. The bottoms product contains 95 mol% toluene and boils at 227°F. 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 ft2 °F Cooling water from 90°F to 120°F Heat flux for reboiler = 12,000 Btu/hr ft2 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 120°F) 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.

– 64 –

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

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, CDML = CP + CM + CL.

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

– 65 –

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

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 130°F, 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 – 66 –

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

F1 Overall Liquid Phase Vapour Phase Vapour/Phase Fraction 0 1 0 Temperature: (F) 215.7 215.7 215.7 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 100 100 0 Mass Flow (lb/hr) 6010 6010 0 Liquid Volume Flow (barrel/day) 511.6 511.6 0 Molar Enthalpy (Btu/lbmole) -1.24E+05 -1.24E+05 -1.05E+05 Mass Enthalpy (Btu/lb) -2065 -2065 -1882 Molar Entropy (Btu/lbmole-F) 13.49 13.49 36.13 Mass Entropy (Btu/lb-F) 0.2245 0.2245 0.6496 Heat Flow (Btu/hr) -1.24E+07 -1.24E+07 0

D1 Overall Liquid Phase Vapour Phase Vapour/Phase Fraction 0 1 0 Temperature: (F) 207.6 207.6 207.6 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 74.7 74.7 0 Mass Flow (lb/hr) 4141 4141 0 Liquid Volume Flow (barrel/day) 353.7 353.7 0 Molar Enthalpy (Btu/lbmole) -1.21E+05 -1.21E+05 -1.03E+05 Mass Enthalpy (Btu/lb) -2188 -2188 -1947 Molar Entropy (Btu/lbmole-F) 9.962 9.962 34.28 Mass Entropy (Btu/lb-F) 0.1797 0.1797 0.6464 Heat Flow (Btu/hr) -9.06E+06 -9.06E+06 0

B1 Overall Liquid Phase Vapour Phase Vapour/Phase Fraction 0 1 0 Temperature: (F) 251.5 251.5 251.5 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 25.3 25.3 0 Mass Flow (lb/hr) 1868 1868 0 Liquid Volume Flow (barrel/day) 157.9 157.9 0 Molar Enthalpy (Btu/lbmole) -1.31E+05 -1.31E+05 -1.15E+05 Mass Enthalpy (Btu/lb) -1778 -1778 -1558 Molar Entropy (Btu/lbmole-F) 21.03 21.03 43.53 Mass Entropy (Btu/lb-F) 0.2848 0.2848 0.5912 Heat Flow (Btu/hr) -3.32E+06 -3.32E+06 0

– 67 –

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

Component Splitter: X-101

PARAMETERS Stream Specifications Overhead Pressure: 20.00 psia Overhead Vapour Fraction: 1.0000 Bottoms Pressure: 20.00 psia Bottoms Vapour Fraction: 0.0000 SPLITS Component Fraction To Overhead Component Overhead Fraction 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 Molar Flow (lbmole/hr) 4141 4141 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 Molar Entropy (Btu/lbmole-F) 0.1797 0.1797 0.6464 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 Vapour/Phase Fraction 188.1 188.1 188.1 Temperature: (F) 20 20 20 Pressure: (psia) 25 25 0 Molar Flow (lbmole/hr) 1159 1159 0 Mass Flow (lb/hr) 99.65 99.65 0 Liquid Volume Flow (barrel/day) -9.95E+04 -9.95E+04 -1.16E+05 Molar Enthalpy (Btu/lbmole) -2147 -2147 -2487 Mass Enthalpy (Btu/lb) 31.08 31.08 6.095 Molar Entropy (Btu/lbmole-F) 0.6705 0.6705 0.1307 Mass Entropy (Btu/lb-F) -2.49E+06 -2.49E+06 0 Heat Flow (Btu/hr) Overall Liquid Phase Vapour Phase B2 0 1 0 Vapour/Phase Fraction 221.6 221.6 221.6 Temperature: (F) 20 20 20 Pressure: (psia) 49.7 49.7 0 Molar Flow (lbmole/hr) 2983 2983 0 Mass Flow (lb/hr) 254 254 0 Liquid Volume Flow (barrel/day) -1.24E+05 -1.24E+05 -1.07E+05 Molar Enthalpy (Btu/lbmole) -2062 -2062 -1789 – 68 –

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

Mass Enthalpy (Btu/lb) 10.7 10.7 35.11 Molar Entropy (Btu/lbmole-F) 0.1783 0.1783 0.5865 Mass Entropy (Btu/lb-F) -6.15E+06 -6.15E+06 0 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 1.3Rmin, the design calls for 44 trays with reflux ratio of 2.298. For the second column, Nmin = 12, with a design for 1.3Rmin 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

– 69 –

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

Shortcut Column: T-101B Parameters Component Mole Fraction Light Key Ethanol 1.01E-02 Heavy Key 1-Propanol 2.00E-02 Pressures (psia) Reflux Ratios Condenser Pressure 20 External Reflux Ratio 3.604 Reboiler Pressure 20 Minimum Reflux Ratio 2.772 User Variables Results Summary Trays / Temperatures Flows Minimum # of Trays 11.94 Rectify Vapour (lbmole/hr) 115.1 Actual # of Trays 23.76 Rectify Liquid (lbmole/hr) 90.09 Optimal Feed Stage 11.89 Stripping Vapour (lbmole/hr) 115.1 Condenser Temperature (F) 187.6 Stripping Liquid (lbmole/hr) 164.8 Reboiler Temperature (F) 221.6 Condenser 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 – 70 –

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

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 Stage: Condenser Flow Basis: Molar Liquid Specification: 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 Vapour/Phase Fraction 0 0 1 Temperature: (F) 215.7 215.7 215.7 Pressure: (psia) 20 20 20 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

– 71 –

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

Properties : D1C Overall Vapour Phase Liquid Phase Vapour/Phase Fraction 0 0 1 Temperature: (F) 207.6 207.6 207.6 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 74.7 0 74.7 Mass Flow (lb/hr) 4141 0 4141 Liquid Volume Flow (barrel/day) 353.7 0 353.7 Molar Enthalpy (Btu/lbmole) -1.21E+05 -1.03E+05 -1.21E+05 Mass Enthalpy (Btu/lb) -2188 -1947 -2188 Molar Entropy (Btu/lbmole-F) 9.962 34.28 9.962 Mass Entropy (Btu/lb-F) 0.1797 0.6464 0.1797 Heat Flow (Btu/hr) -9.06E+06 0 -9.06E+06

Properties : B1C Overall Vapour Phase Liquid Phase Vapour/Phase Fraction 0 0 1 Temperature: (F) 251.5 251.5 251.5 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 25.3 0 25.3 Mass Flow (lb/hr) 1868 0 1868 Liquid Volume Flow (barrel/day) 157.9 0 157.9 Molar Enthalpy (Btu/lbmole) -1.31E+05 -1.15E+05 -1.31E+05 Mass Enthalpy (Btu/lb) -1778 -1558 -1778 Molar Entropy (Btu/lbmole-F) 21.03 43.53 21.03 Mass Entropy (Btu/lb-F) 0.2848 0.5912 0.2848 Heat Flow (Btu/hr) -3.32E+06 0 -3.32E+06

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 – 72 –

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

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

– 73 –

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

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-02 2.205 lbmole/hr 2.2 Iso-propanol in B 49.00 lbmole/hr 49.00 lbmole/hr -1.58E-08 1.00E-02 2.205 lbmole/hr 2.2 Distillate Rate 25.00 lbmole/hr 25.00 lbmole/hr 5.68E-07 1.00E-02 2.205 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-02 2.205 lbmole/hr 2.2 Btms Prod Rate 49.70 lbmole/hr 1.00E-02 2.205 lbmole/hr 2.2 SPECS Column Specification Parameters 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 Stage: Condenser Flow Basis: Molar Liquid Specification: Reflux Rate Stage: Condenser Flow Basis: Molar Liquid Specification: 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 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 : D1C @COL2 Overall Liquid Phase Vapour/Phase Fraction 0 1 – 74 –

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

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 Vapour/Phase Fraction 0 0 1 Temperature: (F) 187.6 187.6 187.6 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 25 0 25 Mass Flow (lb/hr) 1159 0 1159 Liquid Volume Flow (barrel/day) 99.65 0 99.65 Molar Enthalpy (Btu/lbmole) -1.16E+05 -9.94E+04 -1.16E+05 Mass Enthalpy (Btu/lb) -2498 -2152 -2498 Molar Entropy (Btu/lbmole-F) 5.864 30.95 5.864 Mass Entropy (Btu/lb-F) 0.1265 0.6698 0.1265 Heat Flow (Btu/hr) -2.90E+06 0 -2.90E+06

Properties : B2C @COL2 Overall Vapour Phase Liquid Phase Vapour/Phase Fraction 0 0 1 Temperature: (F) 221.6 221.6 221.6 Pressure: (psia) 20 20 20 Molar Flow (lbmole/hr) 49.7 0 49.7 Mass Flow (lb/hr) 2983 0 2983 Liquid Volume Flow (barrel/day) 254 0 254 Molar Enthalpy (Btu/lbmole) -1.24E+05 -1.07E+05 -1.24E+05 Mass Enthalpy (Btu/lb) -2062 -1789 -2062 Molar Entropy (Btu/lbmole-F) 10.7 35.11 10.7 Mass Entropy (Btu/lb-F) 0.1783 0.5865 0.1783 Heat Flow (Btu/hr) -6.15E+06 0 -6.15E+06

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 18920 88.11 113.3 3__Main TS 190.2 20 87.86 113.1 4__Main TS 19220 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 – 75 –

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

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

– 76 –

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

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 130°F. 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.

DIS2

DIS1

D1 D2 FEED

BOT1

BOT2

ASPEN PLUS Program

TITLE 'PRESSURE DETERMINATION' IN-UNITS ENG DEF-STREAMS CONVEN ALL 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 DATABANKS PURE11 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE11 / AQUEOUS / SOLIDS / INORGANIC COMPONENTS ETHANOL C2H6O-2 / PROPANOL C3H8O-1 / ISOBU-01 C4H10O-3 /

– 77 –

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

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. 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-REPOR MOLEFLOW

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 COMPONENTS: LBMOL/HR 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 – 78 –

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

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

Selected Process Unit Output

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 – 79 –

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

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

– 80 –

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

SUBSTREAM: MIXED PHASE: LIQUID LIQUID LIQUID LIQUID LIQUID COMPONENTS: LBMOL/HR 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

Selected Process Unit Output

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 REFLUX RATIO 3.65000 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 – 81 –

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

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

ETHAN-01 1-PRO-01 ISOBU-01 N-BUT-01 X (mole frac) 0.2 0.4 0.6 0.8 1

1 6 11 16 21 26 31 36 41 Stage

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 REFLUX RATIO 3.64000 MOLAR DISTILLATE RATE LBMOL/HR 25.0000 DIST + REFLUX DEG SUBCOOLED F 0.0

– 82 –

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

*** 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 REFLUX RATIO 4.28199 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

– 83 –

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

Block D2: Liquid Composition Profiles

ETHAN-01 1-PRO-01 ISOBU-01 N-BUT-01 X (mole frac) 0.2 0.4 0.6 0.8 1

1 3 5 7 9 11 13 15 17 19 21 23 Stage

– 84 –

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

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 50°C, 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.

Component Splitter: X-100

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

– 85 –

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

F1 Overall Liquid Phase Vapor Phase Vapour/Phase Fraction 0 1 0 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 Vapour/Phase Fraction 0 1 0 Temperature: (C) 107.7 107.7 107.7 Pressure: (psig) 5.304 5.304 5.304 Molar Flow (kgmole/h) 35 35 0 Mass Flow (kg/h) 3053 3053 0 Liquid Volume Flow (m3/h) 3.493 3.493 0 Molar Enthalpy (kJ/kgmole) 3.81E+04 3.81E+04 7.68E+04 Mass Enthalpy (J/kg) 4.37E+05 4.37E+05 9.11E+05 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 Vapour/Phase Fraction 0 1 0 Temperature: (C) 161.4 161.4 161.4 Pressure: (psig) 5.304 5.304 5.304 Molar Flow (kgmole/h) 65 65 0 Mass Flow (kg/h) 7283 7283 0 Liquid Volume Flow (m3/h) 8.327 8.327 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 Mass Entropy (kJ/g-C) 8.89E-04 8.89E-04 1.76E-03 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 1.3Rmin, the design calls for 26 trays, with feed entering on the 13th tray, with a reflux ratio of 2.206.

– 86 –

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

Shortcut Column: T-100

Component Mole Fraction Light Key Toluene 3.46E-03 Heavy Key o-Xylene 6.43E-03 Pressures (psig) Reflux Ratios Condenser Pressure 20 External Reflux Ratio 2.206 Reboiler Pressure 20 Minimum Reflux Ratio 1.697 User Variables Results Summary Trays / Temperatures Flows Minimum # of Trays 12.63 Rectify Vapour (kgmole/h) 112.2 Actual # of Trays 26.1 Rectify Liquid (kgmole/h) 77.21 Optimal Feed Stage 12.9 Stripping Vapour (kgmole/h) 112.2 Condenser Temperature (C) 129.3 Stripping Liquid (kgmole/h) 177.2 Reboiler Temperature (C) 185.2 Condenser 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.

– 87 –

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

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 Column Specification Parameters 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 Stage: Condenser Flow Basis: Molar Liquid Specification: Reflux Rate Stage: Condenser Flow Basis: Molar Liquid Specification: 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 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

– 88 –

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

PROPERTIES Properties : F3 @COL1 Overall Liquid Phase Vapour/Phase Fraction 0 1 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 Vapour/Phase Fraction 0 0 1 Temperature: (C) 129.3 129.3 129.3 Pressure: (psig) 20 20 20 Molar Flow (kgmole/h) 35 0 35 Mass Flow (kg/h) 3053 0 3053 Liquid Volume Flow (m3/h) 3.493 0 3.493 Molar Enthalpy (kJ/kgmole) 4.19E+04 7.86E+04 4.19E+04 Mass Enthalpy (J/kg) 4.80E+05 9.29E+05 4.80E+05 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 Vapour/Phase Fraction 0 0 1 Temperature: (C) 185.2 185.2 185.2 Pressure: (psig) 20 20 20 Molar Flow (kgmole/h) 65 0 65 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 Mass Enthalpy (J/kg) 5.22E+04 3.78E+05 5.22E+04 Molar Entropy (kJ/gmole-C) 0.1133 0.1996 0.1133 Mass Entropy (kJ/g-C) 1.01E-03 1.80E-03 1.01E-03 Heat Flow (kJ/h) 3.80E+05 0 3.80E+05

– 89 –

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

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

– 90 –

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

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 o-Xylene Base case design, with RR recovery, 0.99 recovery, 0.994 = 2.493 B Reboiler Duty, o-Xylene RR = 2.02, and toluene 3.312+06 KJ/h recovery, 0.994 recovery drops to 0.862. C Reboiler Duty, Toluene RR = 1.03, and toluene 3.312+06 KJ/h recovery, 0.99 recovery drops to 0.757. D Reboiler Duty, o-Xylene RR = 1.62, and toluene 3.312+06 KJ/h recovery, 0.93 recovery drops to 0.931.

– 91 –

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

Exercise D.3 Solution using ASPEN.PLUS

9.1 Mass balances

Benzene 700× 0.45 = D × 0.92 + B × 0.05 Overall 700 = D + B Solving: D = 321.8 lbmole/hr, B = 378.2 lbmole/hr L = R × D = 1.25× 321.8 = 402.3 lbmole/hr

V = D + L = 321.8 + 402.3 = 724.1 lbmole/hr

Tower dimensions

Diameter Vapor density – assume ideal gas at highest temperature = 227°F P 1 atm lbmole lb ρ = = = 0.001993 × 92 v RT ft 3 atm ft 3 lbmole 0.7302 × 687°R lbmole°R lb = 0.1834 ft3 Flooding velocity – see Example 10.2 1  ρ − ρ  2  L V  U f = FST C F    ρV  0.2 0.2  σ  18.2  FST =   =   = 0.981  20   20  Note: σ is for toluene at 227°F 1 1 L  ρ  2 402.3  0.1834  2  V  FP =   ≅   V  ρ L  724.1  48.7  ≅ 0.0341

Note: 48.7 is the density of toluene at 227°F

25.4 mm TS = 18 in × = 457.2 mm in −4 0.755 −1.463()0.0341 0.842 CF = 0.0105 + 8.127 ×10 ()457.2 e m = 0.0105 + 0.0761 = 0.0866 s 1  48.7 − 0.1834  2 m ft U f = 0.981× 0.0866  = 1.38 = 4.53  0.1834  s s U = 0.85× 4.53 = 3.85ft s

– 92 –

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

1   2 1 lbmole lb 1 hr 2 4× 724.1 × 92 ×   4V  hr lbmole 3600 s D =   =   0.9πρ U   lb  ft   v  0.9 3.14 0.1834 3.85  () 3     ft  s  = 6.09 ft = 1.86 m Height H = 4 + (23 −1) 1.5 +10 = 47 ft = 14.3 m

Costs Column Eqs. (9.7) – FM = 1 (Fig. 9.3(c))

0.87 1.23 CP = 1,780()()14.3 1.86 = $38,640

From Figs 9.3(c) and 9.3(d) – FP = 1, FBM = 4.5 CBM = 38,640 × 4.5 = $173,900

Trays Figure 9.4 – fq = 1, Nact = 23, FBM = 1.2

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

Tower CBM = 173,900 + 12,300 = $186,200

Condenser lbmole Btu Btu Q = 724.1 ×13,700 = 9.92×106 C hr lbmole hr ()179 − 90 − (179 −120) ∆T = = 72.98°F LM 179 - 90 ln 179 -120 9.92×106 A = = 1,360ft2 = 126.3 m2 C 100× 72.98

Eqs. (9.5) 0.7 CP = 450()126.3 = $13,300

Fig. 9.1(a) - FM = 1, Fig 9.1(b) - FP = 1, Fig. 9.1(c) FBM = 3.2

CBM = 13,300× 3.2 = $42,600

– 93 –

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

Reboiler Overall energy balance

FH F + QR = DH D + QC + BH B

QR = DH D + BH B + QC − FH F

Let H D = 0 (sat’d liq. at 179°F) lbmole Btu Q = 0 + 378.2 × 43.5 × ()227 −179 °F R hr lbmole°F + 9.92×106 − 700× 39.4()201−179 Btu = 10.1×106 hr 10.1×106 A = = 842 ft 2 = 78.2 m 2 12,000 Eqs. (9.5) 0.7 CP = 450()78.2 = $9,510

Fig. 9.1(a) - FM = 1, Fig 9.1(b) - FP = 1, Fig. 9.1(c) - FBM = 3.2

CBM = 9,510× 3.2 = $30,400

Reflux Accumulator lbmole lb lb V = 724.1 × 78 = 56,480 − ben. condensate hr lbmole hr lb 1 ft 3 ft 3 ft 3 = 56,480 × = 1,110 = 18.5 hr 50.7 lb hr min Note: 50.7 is the density of benzene at 179°F

For a residence time = 5 min at half full: Volume = 18.5×10 = 185 ft 3 = 5.24 m3 For L D = 4 : 1 1 V  3  5.24  3 D =   =   = 1.19 m  π   π  L = 4.76 m

Fig. 9.3(a) − CP = $6,000

9.3(c) − FM = 1, FP = 1

9.3(d) − FBM = 3.0

CBM = 6,000× 3.0 = $18,000

– 94 –

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

Reflux Pump – centrifugal

1 lbmole lb 1 ft3 W&s = m& ∆P = 402.3 × 78 × × ρ hr lbmole 50.7 lb lb in 2 1 hr 1 W 50 F ×144 × × 2 2 ft ⋅ lb in ft 3,600 s 0.7376 F s = 1.7 KW

Figs. 5.49 – 5.51 – Ulrich

CP = $3,800 , FM = 1, FP = 1, FBM = 3.2

CBM = 3,800× 3.2 = $12,200

lbmole Reboiler Pump – centrifugal − m& = L + F = 402.3 + 700 hr lbmole = 1,102.3 hr 1 1 50 ×144 W&s = m& ∆P = 1,102.3× 92× × W ρ 48.7 3,600 × 0.7376 = 5.6 KW

Figs. 5.49 – 5.51 – Ulrich

CP = $5,500 , FM = 1, FP = 1, FBM = 3.2

CBM = 5,500× 3.2 = $17,600

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: 392 C = 307,000× = $382,000 TBM 315

– 95 –

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

Total Permanent Investment

CTBM = 382,000

Csite + Cserv = 0.1CTBM = 38,200

CDPI $420,200

Ccont = 0.15 CDPI = 63,000

CTDC $483,200

Cland = 0.02 CTDC = 9,700 Croyal = - Cstart = 0.10 CTDC = 48,300

CTPI $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 CP ($) 81,100 48,760×(392/315) = 60,700 CDML ($) 214,000 CBM ($) 186,200×(392/315) =231,700

Condenser

Area (ft2) 555 1,360 CP ($) 15,000 13,300×(392/315) = 16,600 CDML ($) 57,100 CBM ($) 42,600×(392/315) = 53,000

Reboiler

Area (ft2) 1,332.8 842 CP ($) 26,900 9,510×(392/315) = 11,800 CDML ($) 87,700 CBM ($) 30,400×(392/315) =37,800

Reflux Accumulator

Volume (gal) 719.8 1,384

– 96 –

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

Diameter (ft) 3.5 3.9 Height (ft) 10 15.6 CP ($) 10,000 6,000×(392/315) = 7,500 CDML ($) 70,500 CBM ($) 18,000×(392/315) =22,400

Reflux Pump

Power (KW) 2.2 1.7 CP ($) 3,400 3,800×(392/315) = 4,700 CDML ($) 22,600 CBM ($) 12,200×(392/315) =15,200

Reboiler Pump

Power (KW) 7.5 5.6 CP ($) 4,500 5,500×(392/315) = 6,800 CDML ($) 32,100 CBM ($) 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 ft2. IPE estimates the direct materials and labor costs, CDML, 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 CDML are considerably higher than CBM 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 CDML = $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.

– 97 –

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

Cost $ Source

IBL (Inside Battery Limits) Purchased Equipment Cost 145,800 IPE Equipment List Direct Installation Cost 451,000 By difference Total Direct Materials and Labor Cost, CDML =CDI 596,800 IPE Contract Summary

Pipe Racks (10% of CDML) 59,700 Recommended by Instructor Sewers/Sumps (10% of CDML) 59,700 Recommended by Instructor Mat’l 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, CTBM 1,517,700

– 98 –

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

OBL (Outside Battery Limits) Site Preparation & Service Facil. (10% of CTBM) 151,800 Allocated Costs for Utilities 0 Storage 0 Environmental 0 OBL Total 151,800

Direct Permanent Investment, CDPI 1,669,500

Contingencies (15% of CDPI) 250,400

Total Depreciable Capital, CTDC 1,919,900

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

Total Permanent Investment, CTPI 2,150,300

Comparison of Results

Using the cost charts in Chapter 9, the total bare module cost, CTBM = $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 IPE’s inability to design for a heat flux of 12,000 Btu/hr ft2. The remaining difference is likely due to IPE’s detailed estimates of installation costs.

Of greater consequence, the IPE estimate for the total permanent investment, CTPI = $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.

– 99 –

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

Reactor Design

HYSYS.Plant

The materials supporting a course in heat transfer assume that 2-3 hours of computer laboratory time is allocated to the exercises. The multimedia includes a section that provides a self-paced overview on reactors 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 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.

– 100 –

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

Reactor Design

ASPEN PLUS

The materials supporting a course in heat transfer assume that 2-3 hours of computer laboratory time is allocated to the exercises. The multimedia includes a section that provides a self-paced overview on reactors in general and the models available in ASPEN PLUS 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 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.

– 101 –

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

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: 9 (1) C6H6 + 2 O2 → C4H2O3 + 2CO2 + 2H2O

Reaction 2: C4H2O3 + 3O2 → 4CO2 + H2O (2)

Reaction 3: 15 (3) C6H6 + 2 O2 → 6CO2 + 3H2O

Since air is supplied in excess, the reaction kinetics are approximated as first-order rate laws:

r1 r2 A P B

r3 C

r1 = k1CA ,r2 = k2CP and r3 = k3CA (4)

In the above, A is benzene, P is maleic anhydride (the desired product), and B and C are the -1 undesired byproducts (H2O and CO2), with kinetic rate coefficients in s :

k1 = 4,300 exp []− 25,000 RT   k2 = 70,000 exp []− 30,000 RT  (5)  k3 = 26 exp []− 21,000 RT 

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 % O2 and 79 mol % N2) and 2 kgmol/hr of benzene, at 200 oC 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 oC) b) Investigate the effect of both reactor tube length, in the range 5-15 m, and feed temperature, in the range 700-800 oC, on the MA yield. Define the optimum combination of both of these variables.

HYSYS.Plant Solution ASPEN PLUS Solution

– 102 –

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

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, H2O and CO2). A parametric run for a reactor of length 7 m is shown next.

– 103 –

Materials for Participants – Module Instruction Sequence and Problem Statements by Core Course b) It is noted that for a reactor tube length of 7 m, the optimal feed temperature appears to be 780 oC; 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 Pressure Drop: 0.0000 Type : User Specified 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 – 104 –

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

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

– 105 –

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

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 Vapour/Phase Fraction 1 1 Temperature: (C) 710 710 Pressure: (bar) 1.5 1.5 Molar Flow (kgmole/h) 202 202 Mass Flow (kg/h) 5926 5926 Liquid Volume Flow (m3/h) 6.847 6.847 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

– 106 –

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

PRODUCTS Overall Vapour Phase Vapour/Phase Fraction 1 1 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 Liquid Volume Flow (m3/h) 6.872 6.872 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

– 107 –

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

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 800°C. 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 DEF-STREAMS CONVEN ALL DESCRIPTION " General Simulation with Metric Units : C, bar, kg/hr, kmol/hr, MMKcal/hr, cum/hr. Property Method: None Flow basis for input: Mole Stream report composition: Mole flow " DATABANKS PURE11 / AQUEOUS / SOLIDS / INORGANIC / & NOASPENPCD PROP-SOURCES PURE11 / AQUEOUS / SOLIDS / INORGANIC 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 PARAM TEMP=700. PRES=1.5 BLOCK PFR-100 RPLUG PARAM TYPE=ADIABATIC LENGTH=7. DIAM=2. & PRES=1.5 REACTIONS RXN-IDS=R-1 EO-CONV-OPTI SENSITIVITY S-1 – 108 –

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

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" STREAM-REPOR MOLEFLOW 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. RATE-CON 2 PRE-EXP=70000. ACT-ENERGY=30000. RATE-CON 3 PRE-EXP=26. ACT-ENERGY=21000. 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

– 109 –

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

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

Selected Process Unit Output

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

– 110 –

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

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 CO2 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

0.1 0.15 0.2 0.25 SELEC YIELD

0700 0.05 0.1 725 0.15 750 0.2 775 800 VARY 1 E-101 PARAM TEMP C

Note that for a reactor tube length of 7 m, the yield is a maximum at approximately 780°C. b. Results are not presented for the variation with the reactor length.

– 111 –