Chemical Engineering Department

Institute of Technology
2CH503 Modeling and Simulations
LPW

NIRMA UNIVERSITY

INSTITUTE OF TECHNOLOGY

CHEMICAL ENGINEERING DEPARTMENT

2CH503
Modeling and Simulations

LABORATORY MANUAL

B.Tech Chemical

Semester – V

JULY 2020
 Chemical Engineering Department
Institute of Technology
2CH503 Modeling and Simulations
LPW

Chemical Engineering Department

Institute of Technology
Nirma University

2CH503 Modeling and Simulations

JULY 2020

Sr No List of Practical Schedule CO

1. Matrix Operations & Plotting First week (Two 4

turns)

2. Use of GOAL SEEK & Solver Second week 4

(Two turns)

3. Regression using Excel Third Week (Two 4

Weeks)

4. Simultaneous system of Linear Fourth Week 4

Equations (Polymath)
5. Non-Linear equations (Polymath) Fourth Week 4

6 Ordinary Differential Equations Fifth Week (Two 4

(Polymath)
weeks)

7. Regression Analysis (Polymath) Sixth Week 4

8. To familiarize students with basic Sixth week 4

inputs required for MATLAB
9. To write simple codes for solving Seventh Week 4
chemical engineering models using
MATLAB (Two turns)

10. To develop a model and solve the Eighth Week 1, 4

same using MATLAB
11. To solve ordinary differential Eighth week 1, 4
equations with the help of MATLAB
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12. To familiarize students with basics Ninth week 4

inputs required for steady state
simulations using Aspen.HYSYS
13. To perform steady state simulations of Ninth Week 4
various basic unit operations part I
14. To perform steady state simulations of Tenth Weeks 4
basic unit operations- part II
(Two turns)

15. To make student learn how to enter Eleventh Week 4

reaction and how to simulate different
kinds of reactors in Aspen.HYSYS (Two turns)

16. To familiarize students with various Twelfth Week 4

logical operators of Aspen.HYSYS
(Two Turns)

17. To perform steady state simulations of Thirteenth week 4

some simple flow sheets
(Two turns)

18. To perform a process design of a multi Fourteenth Week 4

component distillation column
(Two weeks)

19. To perform steady state simulation of a Fifteenth Week 4

case study (Any one)
(Two turns)
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Practical – 1
Objectives:
1. To explore and apply matrix operations of Microsoft Excel to Chemical
Engineering Problems
2. Applications of Excel Charts for Plotting Chemical Engineering Data
3. Fitting the data using trend line function of Excel Charts

1. Perform all possible matrix operations using EXCEL:

a) Matrix A (4x4), Matrix B (4x4)
b) Matrix C (3x4), Matrix D (4x3)
2. Solve the following system of equations:

4. Simultaneous linear equations

Xylene, styrene, toluene and benzene are to be separated with the array of distillation
columns shown in figure 1 where F, D, B, D1, B1, D2 and B2 are the molar flow rates in
mol/min.
(a) Calculate the molar flow rates of streams D1, D2, B1 and B2.
(b) Determine the molar flow rates and compositions of streams B and D
 Chemical Engineering Department
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5. Collect heat capacity data of any one component as a function of T and plot the
data as a function of temperature.

6. Enthalpy of a binary mixture is related to mole fraction as

H  100 x1  500 x 2  x2 x1 (10 x1  20 x 2 ) . Plot the value of total enthalpy as a
function of mole fraction of component 1.

7. Collect binary VLE data for any system and plot it.

8. Make a plot of absorbance versus wavelength using the data below using Excel.
Use trend line to relate the data
 Chemical Engineering Department
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Practical 2

Objectives:
1. Applications of Goal Seek to solver in Chemical Engineering

Use of Goal Seek

1. Single Nonlinear Algebraic Equation

Use of the van der Waals equation of state to calculate molar volume and compressibility
factor for a gas. The van der Waals equation of state is given by:

where:

The variables are defined by:

Reduced pressure is defined as

and the compressibility factor is given by

(a) Calculate the molar volume and compressibility factor for gaseous ammonia at a
pressure P = 56 atm and a temperature T = 450 K using the van der Waals equation of
state.
(b) Repeat the calculations for the following reduced pressures: Pr = 1, 2, 4, 10, and 20.
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(c) How does the compressibility factor vary as a function of Pr? Use Excel plot.

2. Air at 25 0C and 1 atm flows through a 4 mm diameter tube with an average

velocity of 50 m/s. The roughness is Є=0.0015 mm Calculate the friction factor
using the following equation:

Determine the pressure drop in a 1m section of the tube using the relation

Density of air at 250C and 1 atm is 1.23 kg/m3 and viscosity is kg/m-s

3. Model fitting using least squares by EXCEL SOLVER.

x y
0.5 0.6
1 1.4
2.1 2
3.4 3.6
Model to y= y=
be fitted Co+C1*x Co+C1*x+C2*x^2

4. Use Solver to find the values of x1 and x2 between -10 and +10 that give the
minimum of y = (x1 + 2x2 - 7)2 +(2x1 + x2 - 5)2.

5. A company makes a specialty solvent at two levels of purity, which it sells in

gallon containers. Product ‘A’ is of higher purity than product B, and profit are Rs
20/gal on ‘A’ and Rs 15/gal on ‘B’. However process throughput limitations
permit production of only 800 gal/day of both ‘A’ and ‘B’ combined. Contract
sales require that at least 200gal/ day of B and 500 gal/day of ‘A’ be produced.
Find the optimum values of ‘A’ and ‘B’ to be produced.

6. n-butane is cracked at 750 K and1.2 bar to produce olefins. The process can be
characterized by two reactions for which following relationship is available at these
conditions.
 12  22
 3.856  268.4
1   1   2 1   1   2  1   1   2 1   1   2 
Find the values of extent of reactions for both the reactions
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Quiz:

1) List various statistical parameters used to access the goodness of the model fit.
2) Explain 95% confidence interval.
3) What are the other software packages available for regression analysis ?
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Practical – 3
Objective:

Use of Regression analysis in Excel

1. Model fitting using LINEST

x y
0.5 0.6
1 1.4
2.1 2
3.4 3.6
Model to y= y=
be fitted Co+C1*x Co+C1*x+C2*x^2

2. Fit the models mentioned in part (1) using Regression Tool.

3. MULTIPLE LINEAR REGRESSION

Experimental vapor pressure data for n-Decane is to be fitted to Antoine equation.
Antoinne equation for pure components is given by:
log(P) = A – [B / ( T + C )]
where, P is vapor pressure, T is temperature and A, B, C are Antoine constants.
Temperature (°C) Pressure (mm Hg)
16.5 1
42.3 5
55.7 10
69.8 20
85.5 40
95.5 60
108.6 100
128.4 200
150.6 400
174.1 760
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PRACTICAL – 4
Objective: Solving Simultaneous system of Linear Equations using POLYMATH
1. Solve the following system of equations:

2. Simultaneous linear equations

Xylene, styrene, toluene and benzene are to be separated with the array of distillation
columns shown in figure 1 where F, D, B, D1, B1, D2 and B2 are the molar flow rates in
mol/min.
(a) Calculate the molar flow rates of streams D1, D2, B1 and B2.
(b) Determine the molar flow rates and compositions of streams B and D
 Chemical Engineering Department
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PRACTICAL – 5
Objective: Solving Non-Linear equations using POLYMATN

1. Single Nonlinear Algebraic Equation

Use of the van der Waals equation of state to calculate molar volume and compressibility
factor for a gas. The van der Waals equation of state is given by:

where:

The variables are defined by:

Reduced pressure is defined as

and the compressibility factor is given by

Calculate the volume using the Redlich-Kwong equation of state which is given by,
 Chemical Engineering Department
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2. For a combustion reaction heat of reaction is related to outlet temperature as,

H=-340562 +141.14T+35.37X10-3T2-5.81X10-6T 3. What would be the out let
temperature if the reaction is carried out adiabatically?

3. n-butane is cracked at 750 K and1.2 bar to produce olefins. The process can be
characterized by two reactions for which following relationship is available at
these conditions.
 12  22
 3.856  268.4
1   1   2 1   1   2  1   1   2 1   1   2 
Find the values of extent of reactions for both the reactions.
 Chemical Engineering Department
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PRACTICAL 6

Objective: Use of POLYMATH for solving Ordinary Differential Equations.

1. Given that the concentration of a species A in a constant volume, batch reactor obeys this
differential equation with the initial condition mol/L and
L/mol/s, compute the time it takes for to be reduced to 1 mol/L.

2. A set of parallel reactions is going in a constant volume batch reactor. Given that the
concentration of a species A in a constant volume, batch reactor obeys this differential
equations and with the initial condition CA0=10
mol/L and k1=0.1 min-1 and k2=0.5 lit/(mol.min) plot the concentration of A and
the two products with time.
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Practical 7

Objective: Use of Regression analysis in POLYMATH

1. Heat capacity data of water is given below. Fit the data to second degree and third
degree polynomial. Obtain constants for both the units of CP.

Cp Cp
T (C) J/mol K kJ/kg K
0.01 76.026 4.2199
10 75.586 4.1955
20 75.386 4.1844
25 75.336 4.1816
30 75.309 4.1801
40 75.3 4.1796
50 75.334 4.1815
60 75.399 4.1851
70 75.491 4.1902
80 75.611 4.1969
90 75.763 4.2053
100 75.95 4.2157
110 76.177 4.2283
120 76.451 4.2435
140 77.155 4.2826
160 78.107 4.3354
180 79.36 4.405
200 80.996 4.4958
220 83.137 4.6146
240 85.971 4.7719
260 89.821 4.9856
280 95.285 5.2889
300 103.6 5.7504

2. Experimental vapor pressure data for n-Decane is to be fitted to Antoine

equation. Antoinne equation for pure components is given by:
log(P) = A – [B / ( T + C )]
where, P is vapor pressure, T is temperature and A, B, C are Antoine
constants.
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Temperature (°C) Pressure (mm Hg)

16.5 1
42.3 5
55.7 10
69.8 20
85.5 40
95.5 60
108.6 100
128.4 200
150.6 400
174.1 760
 Chemical Engineering Department
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Practical 8
Objective: To Explore the applications of various basic tools of MATLAB

1. Enter the following matrix in MATLAB:

a=[1 2 3;4 5 6;7 8 9]; b=[10 11 12;13 14 15;16 17 18]

Carry out the following operations in MATLAB workspace

 Array Addition
 Array subtraction
 Array Multiplication
 Matrix Multiplication
 Array right division
 Array left division
 Matrix Right Division
 Matrix Left Division
 Array Exponentiation

2. x=[1 2 3 4 5 6 7 8 9 10];
Use the linspace command, input command to enter the matrix
3. Use the following functions of MATLAB.
inv, eig, rank, det
[ Use help function_name for more details]

Quiz
1) Which functions of MATLAB are similar to goal seek and solver in Excel ?
2) How do you save your variables in MATLAB ?
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PRACTICAL 9
Objective: To write simple codes for solving chemical engineering models using
MATLAB

1. Convert the following temperature from degree Celsius in Kelvin

50 70 80 95 100 105 110 120 135

Using K=273.15+C. plot (C,K) .

2. Write a function file to find out the BUBL P of any ideal binary system.
- Modify the above programme by including global variables

3. Carbon dioxide gas is well represented by the van der Waals equations of state.
Given that T=190 K and P=1 atm, find out the volume of carbon dioxide gas
using any numerical method. The Van Der Waals equation of state is given by
 a 
 P  2  V  b   RT .
 V 
Assume that the numerical values of constants a and b are available to you.

Quiz:
1) List rules to write a function file in MATLAB.
2) What is the difference between function file and script file in MATLAB ?
3) Explain the use of global variable in MATLAB.
 Chemical Engineering Department
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PRACTICAL 10
OBJECTIVE: To develop a model and solve the same using MATLAB

Water is flowing into a well-stirred tank at 150 kg/hr and Methanol is added at 30 kg/hr.
The resulting solution is leaving the tank at 120 kg/hr. There are 100 kg of fresh water in
the tank in the beginning. Develop a model listing your assumptions and calculate the
outlet concentration of Methanol at various time interval from t= 1 hr to 10 hr. Simulate
the process using MATLAB.
 Chemical Engineering Department
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PRACTICAL 11
Objective: To solve ordinary differential equations with the help of MATLAB

1. Suppose that a reaction is going as A B with the reaction rate given by,
dC A
 kC A where k is a reaction rate constant. If the value of is k=0.3 min-1,
dt
determine how long will it take for the conversion to reach 95%, if initial
concentration of A is 10 mol/lit. Solve using MATLAB. Plot CA v/s t.
2. Suppose we want to model the nonisothermal CSTR,

We want to model this system in which we will treat the jacket temperature, Tj,
as, the input (i.e. manipulated variable). We will also want to monitor
concentration and temperature of the liquid in the CSTR as our outputs. Given
that,

Use MATLAB to solve the above model equation for various T j values and plot the Ca
and T as a function of time for various Tj.
Quiz:
1) List different functions related to solve ODE’S in MATLAB
List different functions in MATLAB, associated with plotting and explain them.
 Chemical Engineering Department
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Practical 12

Objective To familiarize students with basics inputs required for steady state
simulations using Aspen.HYSYS

1 Create a material stream that contains only water with the following conditions:
 Fluid Package: PR EOS
 Flow Rate: 1000 kgmol/hr
 Pressure: 1 atm
 Vapor/Phase Fraction:1
Quiz; What is the temperature of this stream? _______________

2 Repeat the above procedure by replacing pressure with temperature of 150 C.
What is the new pressure of the stream? Get the answers with various
temperatures.

3 For the same conditions as in problem 1 if the pressure decreases to 0.3 atm what
is the corresponding temperature? and if the pressure is increased to 5 atm, what
is the corresponding temperature?

4 Repeat problem 1 with the input and output units as mentioned below:

Temperature: F
Pressure: bar
Flow rate: kg/sec

5 Define Fresh feed for the single component and multi-component

For multi component check your answers for the following cases.
(a) Specify T, P, Flow rates of all the components.
(b) Specify T, P, Total Flow rate and Mole fractions of all the components.
(c) Specify T, vapor fraction, Flow rates of all the components.
(d) Specify T, vapor fraction, Total Flow rate and Mole fractions of all the
components.
(e) Specify P, vapor fraction, Flow rates of all the components.
(f) Specify P, vapor fraction, Total Flow rate and Mole fractions of all the
components.
6. Simulate MIXER, with input streams (two or more) and one output stream.
Quiz:
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 How is the pressure of the outlet stream calculated?

 Observe the properties of each of the streams
 Can you find the Bubble point temperature & pressure and Dew point
temperature & pressure for any one of the stream.
 Also observe the effect on vapor fraction of the mix outlet by adjusting the
parameter like pressure of the main stream (any one component)
7. Simulate FLOW SPLITTER, with one input stream and (two or more) output
streams. Observe that the temperature, pressure and compositions of all the streams
are exactly the same.

8 Find the molar volume of ammonia gas at 56 atm and 450 K using SRK Equation of
State (EoS).

9. Consider the following mixture going into a Water-Gas-Shift reactor to make

hydrogen for the hydrogen economy. CO, 630 kmol/hr, H2O 1130 kmol/hr, CO2 189
kmol/hr, H2 63 kmol/hr. The gas is at 1 atm and 500 K. Compute the molar volume
of this mixture using SRK EoS.

Add a “hypothetical component” of the formula C8H18 and find its properties for
10
following cases and compare your results.
 The boiling point of the component is known to you 399 K.
 T c=568.83 K Pc=24.86 bar
 T c=568.83 K Pc=24.86 bar =0.396

QUIZ:

1) List different process simulators and classify them according to open

sources and licensed.
2) Find out any five compounds which are not present in the library of
Aspen.HYSYS.
3) List the methods to estimate critical properties. Write equations of any
five for each properties.
 Chemical Engineering Department
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PRACTICAL -13

Objective: To perform steady state simulations of various basic unit operations part
I

1. Water at 50 OF and 14.7 psia is to be pumped at a rate of 200 gallons per minute
from one reservoir to the other at 5 atm. Simulate to find the required pump power
and the required pump pressure rise for this scenario.

2. 25,000 Ib/hr of toluene is pumped from 75 OF and 30 psi to 570 psi. Simulate to
compute the capacity, pump head, the exit temperature and the horse power for (a) a
pump efficiency of 100% and (b) a pump efficiency of 75%.

3. Simulate to find the heat required to vaporize 45 mole % of a liquid stream entering
an evaporator at 50 OF and 202 psia and containing propane 250, n-butane 400, n-
pentane 350 lbmole/hr. assume that the evaporator product is at 200 psia.
4. Use a simulator to design a compression system with inter coolers to compress 600
Ib/hr of a mixture of 95% hydrogen and 5 mol% methane at 75 OF and 20 psia to a
pressure of 600 psia, if the maximum exit temperature from stage is 400 OF. Assume
gas outlet temperature from the intercoolers is 120 OF.
5. In the feed preparation section of a plant ethyl benzene at 77 F and 14.7 psia is to
be heated to 752 F and 73.48 psia. Following two options are available: (1) The
liquid ethyl benzene is sent through a pump to increase the pressure to the desired
value followed by heating it to the required temperature (2) the liquid ethyl benzene
is first vaporized at constant pressure to an intermediate temperature and then
compressed to the required pressure. Which of these options do you recommend?
Check your answer by simulating both the options.

Quiz:

1) Which equations are used to simulate a pump in Aspen.HYSYS ?

2) How would you simulate an adiabatic process in Aspen.HYSYS ?
3) How would you simulate an isothermal process in Aspen.HYSYS ?
4) For any one of the above problems can you theoretically calculate the
heat requirements ?
 Chemical Engineering Department
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PRACTICAL -14

Objective: To perform steady state simulations of basic unit operations- part II

1. A binary mixture consisting of 50 mol% n-pentane and 50 mole % n-Hexane at 130

F and 73.5 psi is fed into a flash column. The flash column operates at 120 F and
13.23 psia pressure. Simulate the unit and report the fraction of vapor along with the
compositions of the liquid and vapor stream. Observe the heat duty in the column.
Try to connect a Heat stream to the column and observe its value.
2. Hot water at 250 C and 1000 psig is used to heat a cold stream of water in a shell
and tube heat exchanger. The inlet temperature and pressure of the cold stream is
25 C and 130 psig respectively. The outlet temperatures of the cold and hot streams
are 150 C and 190 C, respectively. If the flow rate of the hot stream is 100 kg/h,
determine the flow rate of the cold stream passing through the exchanger.
3. In the above problem if the flow rate of the cold stream is 100 kg/hr determine the
flow rate of hot stream passing through the exchanger. What is the amount of heat
transfer from the hot stream to the cold stream?
4. Design a binary distillation column.
Example: Feed consisting of Methanol 36.8 % and 63.2 % water.
Feed Flow rate: 120000lb/hr, Pressure 18 psia, Saturated liquid
Reflux Ratio: 1.3; Desired Separation 98 % methanol in the top product and 98%
water in the bottom product. [Hint: First use short cut distillation to obtain the
required data for distillation design and then use adjust tab to obtain the required
purity]

Quiz :
1) Find out the heat capacity constants of water. Compare the same with
the ones available in Aspen.HYSYS.
2) Which method is used to solve Short cut distillation process ? Explain
the same.
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PRACTICAL -15

Objective: Entering a reaction and simulating different kinds of reactors in

Aspen.HYSYS

1. Calculate the standard heat of reaction for CO  2 H 2  CH 3 OH and compare the

result obtained from standard heats of reaction.
2. Calculate the adiabatic flame temperature for the reaction CO  2 H 2  CH 3 OH
under the following conditions. The feed consisting of CO and H2 in the
stoichiometric ratio enters the reactor at 25 OC and 1 atm. A conversion of 80% with
respect to CO may assumed. Compare the result with conventional calculation.

3. Calculate the adiabatic flame temperature for the reaction CO  2 H 2  CH 3 OH

under the following conditions. The feed consisting of CO and H2 in the mole ratio
of 1:10 enters the reactor at 25 OC and 1 atm. A conversion of 80% with respect to
CO may assumed. Compare the result with conventional calculation. Observe the
effect of excess reactant on the adiabatic flame temperature.

4. Calculate the adiabatic flame temperature for the reaction CO  2 H 2  CH 3 OH

under the following conditions. The feed consisting of CO and H2 and n-dodecane
O
(C12H26) in the mole ratio of 1:2:5 enters the reactor at 25 C and 1 atm. A
conversion of 80% with respect to CO may be assumed. Compare the result with
conventional calculation. Observe the effect of the presence of a diluent on adiabatic
flame temperature.
5. Perform Design calculations with any kinetic reactor (PFR/CSTR). Determine the
volume necessary to produce 300 million pounds of ethylene a year from cracking a
feed stream of pure ethane. The reaction is irreversible and elementary. It is required
to obtain 60% conversion of ethane, operating the reactor isothermally at 1150K and
a pressure of 5 atm.
C 2 H 6 ( g )  C 2 H 4 ( g )  H 2 ( g ) (A + B -> C)
Data: k = 0.072s-1 at 1000K and activation energy, E = 82 Kcal/gmole.
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6 Create a flow sheet diagram for the production of Ethyl Acetate (C4H8O2).
Ethanol (C 2H5OH) is combined with Acetic Acid (CH3COOH) to Ethyl Acetate
in a reactor. The reaction is:

C 2H5OH + CH3COOH → C 4H8O2 + H2O

Feed:
Temperature: 70oC
Pressure: 1atm
Water: 8.892 kmol/hr
Ethanol: 186.59 kmol/hr
Acetic Acid: 192.6kmol/hr

Property Package: NRTL

Kinetic Parameters:
 Reactions are first order with respect to each reactants in the reaction
(second order overall).
 Forward reaction: k = 1.9 x 108, E = 5.95 x 10 7 J/kmol
 Reactions occur in Liquid Phase
 Composition basis is Molarity.

Reactor Conditions: Temperature: 70 oC, Pressure: 1 atm

 Determine the product flow rate assuming the reactor is a CSTR with a
Vol = 0.14m3.
 Determine the product flow rate assuming the reactor is a PLUG flow
with Length = 2m and Diameter = 0.3m.
Determine the product flow rate assuming the reactor is a Conversion type with a
70% conversion of ethanol.
7. Styrene is a monomer used in the production of many plastics. It has the fourth
highest production rate behind the monomers of ethylene, vinyl chloride and
propylene. Styrene is made from the dehydrogenation of ethylbenzene:

……………………………..1

Model this system using a power law expression. [In HYSYS this is called a
Kinetic Rate expression.] The reaction rate expression that you will install is
given by the following:

Notice that the reaction rate has units and that the concentration term is partial
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pressure with units of kPa.

Quiz

1) Explain the theory behind Gibss reactor

2) Simulate any one reaction using equilibrium reactor and compare the
simulated result with theoretical calculations
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PRACTICAL -16

Objective: To use various logical operators of Aspen.HYSYS in process simulation

1. 1000 lbmol/hr of ethylene stream (S1) at 100 F is mixed with toluene (S2). The
flow rate of toluene stream at 50F is adjusted to achieve the desired temperature of
85 F at the mixer effluent. Simulate the unit and find the flow rate of the stream
S2.
2. Simulate to determine the flow rate of saturated vapor benzene at 176.2 F to be
mixed with 100 lbmole/hr of liquid benzene at 1 atm to raise its temperature from
25 to 50 F.
3. For the following calculate the flow rates of recycle and products streams.

Feed Pure Isobutane

100 kmol/hr
Product
Mixer 95 (mol%) isobutene
5 (mol %) isobutene

Recycle
80 (mol %) isobutane
20 (mol %) isobutene

4 Using case study option, see the effect of temperature on the molar volume of the
ammonia in Experiment 1 problem 9.

5. You need to mix a stream of natural gas (consider only C1 here) with steam before
sending them to the natural gas reformer where they will react to form CO and
CO2. You cannot just mix them in any proportion, however. Though stoichiometry
might suggest you could use nearly a 1:1 ratio, you must avoid a possible side
reaction whereby solid carbon (coke) is formed, choking the reactor. To avoid this
reaction you are told to maintain at least a 3:1 Steam to Carbon Ratio (i.e. for every
carbon atom entering the reactor, there should be 3 molecules of water). Use Set
Tab to do so.
Quiz:

1) Differentiate between Set Tab and Adjust Tab

2) List different possible numerical methods to solve a recycle problem.
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LPW

PRACTICAL -17
Objective: To perform steady state simulations of some simple flow sheets

1. Simulate the following Block diagram. See the effect of pressure drop through
expansion valve on vapor phase composition. [Use sensitivity analysis]

2. One of the routes to produce ethyl chloride is by the gas phase reaction of HCl
with ethylene over a copper chloride catalyst:

C2H4(g) + HCl(g) C2H5Cl(g)

The conversion is 90% with respect to C 2H4. The process flow diagram is as
shown below. Simulate the process. Study various parameters of recycle tab.
 Chemical Engineering Department
Institute of Technology
2CH503 Modeling and Simulations
LPW

Also carry out the sensitivity analysis for the effect of purge flow rate on Recycle
flow, Product flow, Flow to distillation column and composition of recycle
stream.

3. In an Ammonia reactor loop, the feed consisting of NITROGEN 24 lbmol/hr,

HYDROGEN 74.3 lbmol/hr ARGON 0.6 lbmol/hr and METHANE 1.1 lbmol/hr
enters a reactor at 77 F and 200 atm. The reactor (Modeled as Equilibrium
reactor with zero degree temperature approach) is operating at 200 atm and 500
C. The vapour and liquid product streams from the reactor are mixed and cooled
to -28 F and 2000 psia. The liquid stream from the flash column is withdrawn as
product and the vapour stream is partially purge ( a purge fraction of 0.04 may be
used) and then compressed to the reactor pressure of 200 atm. Simulate the
process and report the conversion obtained in the reactor along with the product
and recycle flow rates.

Quiz:

1) Is it possible to put recycle tab on any other stream then recycle stream ?
Explain your answer
2) What minimum data is required to simulate an entire process ?
 Chemical Engineering Department
Institute of Technology
2CH503 Modeling and Simulations
LPW

PRACTICAL -18
Objective: To perform a process design of a multi component distillation
column

Design a Distillation column for the following flow sheet. Simulate the same
using following steps.

1. Use the component splitter first.

2. Use set tab to determine the pressure of condenser and reboiler. [Assume
saturated vapor at top and saturate liquid at bottom. Also assume the pressure
on condenser same as that of feed]
3. Determine the effect of pressure on relative volatility of C3H8 and nC4H10m
using a case study. [Use clone object for Feed and set its vapor fraction to 0].
Relative volatility needs to be defined using spreadsheet.
4. See the effect of Pressure on Temperature of both distillate and bottoms.
5. Re define the pressure of condenser using the observation of the above
studies.
6. Use these pressures for defining short cut distillation. Simulate the short cut
distillation and finally using the results of short cut distillation simulate the
given distillation column.

Quiz:
1) Which are the different kinds of columns available in Aspen.HYSYS ?
2) List minimum data required to simulate a distillation column
 Chemical Engineering Department
Institute of Technology
2CH503 Modeling and Simulations
LPW

PRACTICAL -19
Objective: To perform steady state simulation of a case study (Any one)

1. Toluene is produced from n-heptane by dehydrogenation over a Cr2O3 catalyst:

CH3 CH2 CH2 CH2 CH2 CH2 CH3 C6H5CH3 + 4H2. The toluene production
process is started by heating n-heptane from 65 to 800 F in a heater. It is fed to a
reactor, which operates isothermally and converts 15 mol% of the n-heptane to
toluene. Its effluent is cooled to 65 F and fed to a separator (flash). Assuming
that all of the unit operated at atmospheric pressure, determine the species flow
rates in every stream. Inspection of the calculation of the results of the above
example shows that the cooling duty is comparable to heating duty, suggesting
that the utility load can be reduced by preheating the feed stream with hot reactor
product. Modify the process by adding a heat exchanger.

2. We need to separate a mixture of five paraffins into light and heavy fraction by
using multistage distillation column with 12 ideal trays, a total reflux condenser,
and a reboiler. The feed stream (1000 lbmols/hr) consists of 3% (mole %) ethane,
20% propane, 37% nbutane, 35% n-pentane, and 5% n-hexane at 2250 F and 250
psia, which enters the column on the seventh tray, counting from the top. The
condenser and reboiler pressures are 248 and 252 psia, respectively. The
preliminary design specifications require a reflux ratio of 6.06 and a vapor
overhead product of 226 lbmol/hr. Subsequently, the design is modified to ensure
propane overhead recovery of 191 lbmol/hr and butane bottom recovery of 365
lbmol/hr.
Note:
 Estimated condenser temperature 100F and reboiler temperature 240F.
 Distillate rate 226 and reflux ratio 6.06
 Fluid Package SRK

3. Ethyl chloride will be produced by the gas-phase reaction of HCl with ethylene
over a copper chloride catalyst supported on silica as
C2H4 + HCl →C2H5Cl
The feed stream is composed of 50 mol% HCl, 48 mol% C2H4, and 2 mol% N2 at
100 kmol/hr, 250C, and 1 atm. Since the reaction achieves only 85 mol%
conversion, the ethyl chloride product is separated from the unreacted reagents,
and the latter is recycled. The separation is achieved using a component splitter,
where it is assumed that a perfect separation is achievable. The process is
operated at atmospheric pressure, and pressure drops are ignored. To prevent the
accumulation of inerts in the system, 10 kmol/hr is withdrawn in a purge stream,
W. Simulate the process.

Note: Component splitter is used for separating the product ethylchloride from
the reactant and the conditions are 25 C and 1 atm in the splitter.
 Chemical Engineering Department
Institute of Technology
2CH503 Modeling and Simulations
LPW

Property Package: Peng Robinson

Quiz
1) How is tolerance defined in Recycle Tab ?
2) What do you understand by a step size in Recycle Tab ?