RAJALAKSHMI ENGINEERING COLLEGE

(An Autonomous Institution)

Affiliated to Anna University, Chennai - 602105.

DEPARTMENT OF CHEMICAL ENGINEERING

COMPUTER APPLICATION IN CHEMICAL ENGINEERING

LABORATORY

LAB MANUAL

VII SEM B. TECH CHEMICAL ENGINEERING

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 RAJALAKSHMI ENGINEERING COLLEGE
DEPARTMENT OF CHEMICAL ENGINEERING
Vision
To be a center of excellence in chemical engineering to provide well prepared professionals to
the industries and society.

Mission
i. To provide state of art environment to the students for better learning to cater for the
chemical industries and pursue higher studies.
ii. To provide space to the students in research to think, create and innovate things.

PEOs’
I. To produce employable graduates with the knowledge and competency in Chemical
Engineering complemented by the appropriate skills and attributes.
II. To produce creative and innovative graduates with design and soft skills to carry out
various problem solving tasks.
III. To enable the students to work as teams on multidisciplinary projects with effective
communication skills, individual, supportive and leadership qualities with the right
attitudes and ethics.
IV. To produce graduates who possess interest in research and lifelong learning, as well as
continuously striving for the forefront of technology.

Program Outcomes (POs)

Engineering Graduates will be able to
1. Engineering Knowledge:
Apply the knowledge of mathematics, science, and engineering fundamentals, to solve the
complex chemical engineering problems
2. Problem analysis:
Identify, formulate, review research literature, and analyze complex chemical engineering
problems reaching substantiated conclusions using first principles of mathematics, natural
sciences and engineering sciences.

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3. Design/development of solutions:
Design solutions for complex chemical engineering problems and design system components or
process that meet the specified needs with appropriate consideration for the public health and
safety, and the cultural, societal and environmental considerations.

4. Conduct investigations of complex problems:

Use research-based knowledge and research methods including design of experiments, analysis
and interpretation of data, and synthesis of the information to proceed valid conclusions.

5. Modern tool usage:

Create, select and apply appropriate techniques, resources and modern engineering and IT tools
including prediction and modeling to complex chemical engineering activities with an
understanding of the limitations.

6. The engineer and society:

Apply reasoning informed by the contextual knowledge to assess societal, health, safety, legal
and cultural issues and the consequent responsibilities relevant to the professional chemical
engineering practice.

7. Environment and sustainability:

Understand the impact of the professional chemical engineering solutions in societal and
environmental contexts, and demonstrate the knowledge of and need for sustainable
development.

8. Ethics:
Apply ethical principles and commit to professional ethics and responsibilities and norms of the
chemical engineering practice.

9. Individual and team work:

Function effectively as an individual and as a member or leader in diverse teams, and in
multidisciplinary settings.

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10. Communication:
Communicate effectively on complex chemical engineering activities with the engineering
community and with society at large, such as, being able to comprehend and write effective
reports and design documentation, make effective presentations, and give and receive clear
instructions.

11. Project management and finance:

Demonstrate knowledge and understanding of the engineering and management principles and
apply these to one’s own work, as a member and leader in a team, to manage projects and in
multidisciplinary environments.

12. Life-long learning:

Recognize the need for, and have the preparation and ability to engage in independent and life-
long learning in the broadest context of technological changes in chemical engineering.

PROGRAM SPECIFIC OUTCOMES (PSO’s)

1. Graduates will be able to apply chemical engineering principles to design equipment and a
process plant.
2. They will be able to control and analyze chemical, physical and biological processes including
the hazards associated with these processes.
3. Will be able to develop mathematical models of real world industrial problems and compute
solutions to dynamic processes.

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 RAJALAKSHMI ENGINEERING COLLEGE
An Autonomous institution
Afflilated to Anna University,Chennai.

Course Objectives:

 To make the students to learn fundamentals concepts in mathematics and problems solving.
 To make the students to understand about operating parameters and optimization.
 To understand the principles involved in regression, simulation.
 To state the importance of the usage of modern day tools for optimization.
 To design and optimize chemical engineering process equipments.
.
Course Outcomes:

CO1: Students will be able to understand the fundamentals concepts in mathematics and
problems solving
CO2: Students can understand operating parameters and trouble shoot
CO3: Students would identify the optimal optimization technique to develop models
CO4: Students will acquire knowledge on usage of modern day tools for optimization
CO5: Student can design and optimize chemical engineering process equipments
CO-PO- Matrix:

CO /
PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PO9 PO10 PO11 PO12 PSO1 PSO2 PSO3

PO &
PSO
CH19613 3 3 3 3 3 3 3 2 2 2 2 3 3 3 2

CH19613 3 3 3 3 3 3 3 2 2 2 2 3 3 3 2

CH19613 3 3 3 3 3 3 3 2 2 2 2 3 3 3 2

CH19613 3 3 3 3 3 3 3 2 2 2 2 3 3 3 2

CH19613 3 3 3 3 3 3 3 2 2 2 2 3 3 3 2

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 RAJALAKSHMI ENGINEERING COLLEGE
An Autonomous institution
Afflilated to Anna University,Chennai

CO-PSO Matrix:

CO PSO1 PSO2 PSO3

CO1 2 3 1
CO2 2 3 1
CO3 2 3 1
CO4 2 3 1
CO5 2 3 1

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 DEPARTMENT OF CHEMICAL ENGINEERING

CH19713 – COMPUTER APPLICATION IN CHEMICAL ENGINEERING

LAB
LIST OF THE EXPERIMENTS

S. No NAME OF THE EXPERIMENT Page No

1. Solving equation of state, regression of parameters using EXCEL/MATLAB 8

2. Calculation of Reynolds number, friction factor and pressure drop using 9

EXCEL/MATLAB
3. Calculation of heat transfer coefficient in a Heat Exchanger using 10
EXCEL/MATLAB
4. Calculation of minimum Reflux ratio for a system in a fractionator using 12
EXCEL/ MATLAB
5. Calculation of HTU and NTU in Absorber using EXCEL/MATLAB 13

Solving mass and energy balance problems using EXCEL/MATLAB 14

6.

7. Calculation of Antoine’s coefficient using EXCEL/MATLAB 15

8. Steady state simulation of Heat Exchanger using ASPEN PLUS/ HYSYS

16

9. Steady state simulation of a CSTR using ASPEN PLUS/ HYSYS 17

10. Estimation of settling velocity of solids in liquids using Stoke’s law using 18
EXCEL/MATLAB

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EXP.NO. MODELLING THE DYNAMICS OF FIRST ORDER SYSTEM

AIM:

To find out dynamics of step response for generating linear first order system.

PROBLEM:

Mathematical description of many process can be accomplished by models that utilize

ordinary differential equation control theory treat these process as either first order (or)
second order system. Laplace transform other methods can be used to obtain solution with
Laplace transfer are enabled foranalysis of many control system has been described.

PROCEDURE:

* The polymath was opened. The differential equation was selected.

* The program code was entered in given window.

* Turn the program.

FORMULA:

A first order system is one in which the output y(t) is described by first

order.a1dy/dt +a0y = b0(t)

General first order linear ODE with step change at t=0.

R=3
du=2
d1(y)/dt=R*d
u/tau-y/tav
yOVERduANAL=(1-exp(-tovertau))
yANAL=yOVERduANAL*R*du
y(0)=0
f(0)=0
f(f)=6

RESULT: The dynamics for step response to separate linear first order system was found to be --------

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EXP .NO. POLYMATH-CALCULATION OF CONVRSION IN A PFR AT CONSTANT
VOLUME

AIM:

To use polymath to solve ordinary differential equations.

PROBLEM STATEMENT:

The reversible decomposition of di-test-butye peroxide is to be carried out in an isothermal plug flow
reactor in which there is no pressure drop.symbolically, this reaction can be written A B + 2C. The feed
consists of di-ter t butyl peroxide & inert nitrogen.The reactor volume is 200 dm^3, and the entering
volumetric flow rate is maintained constant at 10 dm^3/min. The reaction rate k for this first order rxn is
0.008m^-1 which is based on reactant A.

FORMULA:

dx/dv= k(1-x)/v(1+Σx)

Where initial conditions x=0 at v=0

Final volume v=

Σ=

PROCEDURE:

1. The differential eqn with initial condition were given.

2. The explicit eqn for k,epsilon & v were given.
3. Program was executed and the report & graph were shown.
4. The program was executed.
5. The file was saved.

RESULT:

The ODE containing conversion of volume of reactor was solved to plot between and was shown.

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EX.NO. USERFORM - COST ESTIMATION OF HEAT EXCHANGER

AIM:
To generate userform.

PROBLEM STATEMENT:
Estimate the cost of heat exchanger.

FORMULA REQUIRED:
CP=FPFmFLFD
Cp= Purchase Cost FL= Tube Length Factor
Fp= Pressure Factor A= Area
Im = Material Cost CB= Base Cost
i. Floating Heat Type:
CB=exp[11.9052-0.8709[ln A]+0.09005[ln(A)2]
ii. Fixed Heat Type:
CB= exp[11.2972-0.9228[ln A]+0.0961[ln (A)2]
iii. U-Tube Type:
CB=exp[11.3852-0.9186[ln A]+0.09790[ln (A)2]
iv. Pressure Factor:
FB=0.9803+0.18[P/100]+0.0017[P/100]2
v. Tube Length Factor;
Tube Length 8 12 16 20

Ft 1.25 1.12 1.05 1.00

vi. Effect of Material of construction:
FM= a+(A/100)b
vii. Effect Of Time:
Cpn=cp1(I2/I1)

PROCEDURE:
1. User form was insecured.
2. Frame 1:
 Type of heat exchanger
 Option Button
 Fixed Head
 Floating Head
 U-Tube

3. Frame 2:
 Materials of construction

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  Option Button
 Carbon Steel
 Carbon steel
 Titanium
 Titanium
4. Frame 3:
Tube Length:

 Option Button
 8ft
 12ft
 16ft
 20ft
5. Their labels were inserted (i.e). area, pressure, rating & year of purchase corresponding were
also inserted.
6. There command box were inserted for calculation, exit & quit.

RESULT:
Cost estimation of heat exchanger in the year was found to be ………

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EX.NO. STEADY STATE MATERIAL ON A SEPERATION TANK

AIM :

To calculate flow rate of top and bottom product using matrix in MS excel

PROBLEM STATEMENT:

Para Xylene , styrene , Toluene and benzene are to be separated with array of distillation column.

FORMULA:

AX = B

A^-1 x B

PROCEDURE:

Material Balance for Individual components are calculated as follows.

Xylene : 0.07 D1 + 0.18 B1 + 0.15 D2 + 0.24 B2 = 0.15 x 70

Styrene: 0.04 D1 + 0.24 B1 + 0.10 D2 + 0.65 B2 = 0.25 x 70

Toluene: 0.54D1 + 0.42 B1 + 0.54 D2 + 0.10 B2 = 0.4 x 70

Benzene: 0.35 D1 + 0.16 B1 + 0.21 D2 + 0.01 B2 = 0.2 x 70

 Matrix A has initialized when values Corresponding to D1, B1 , D2 , B2 Was Inserted.

 Matrix B was Initialized when values corresponding to feed component balance values are
inserted.
 Matrix multiplication was done in final value was shown in desired cell in excel sheet.


Result:

Flow rate of top and bottom distillate was found to be:

D1= Kg Mol/Min

B1 = Kg Mol/Min

D2 = _Kg Mol/Min

B2 = Kg Mol/Min

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EX.NO. REGRESSION
AIM:

To find the equation of lines for given dependent and independent variable.
PROBLEM STATEMENT:
Temperature and Pressure are given to calculate the slope and intercept for given
dependent and independent variables

T°C P(bar)

-56.7 0.5

-51.1 0.107

-45.6 0.86

-40 1.1

-34.4 1.39

-28.9 1.75

-23.3 2.1

-17.8 3.8

-12.2 3.82

-6.67 4.5

-1.1 5.3

4.4 6.32

10 7.58

15 8.54

26.7 9.84

32.2 11.31

37.8 12.89

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PROCEDURE:
● The dependent and Independent variable where identified and entered in excel.
● Based on dependent variable and Independent variable the X value which is to be plotted with Y
values
● The regression was selected in excel table
● The time fit & residual plot where selected and finally a trend line was added to get the equation
for the graph.

RESULT:
The equation line is Y=MX+C, Y=

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EX No : MULTIPLE REGRESSION
AIM:
To find the rate constant and order form experimental data using excel and polymath
PROBLEM STATMENT:
Find the rate expression for the data of rate and partial pressure of the reaction
FORMULA:
-ra =K Pa^a Pb^b
ln(-ra)=ln K + aln(Pa)+ bln(Pb)
PROCEDURE:
EXCEL:
*The Excel file was opened and data as for were entered
*The data were Calculated for ln(-r ), ln(K),ln(Pa), ln(Pb)
*Using regression analysis the value of K, a and b were calculated
*The rate equation was found
POLYMATH:
*The polymath file was opened and data for -ra, Pa and Pb were entered
*These data were Calculated for ln(-ra) , ln(K), ln(Pa) and ln(Pb)
*Using multiple regression (Multiple linear) analysis the value of K ,a,b were calculated
*The rate equation was found

RESULT:
i) Excel:
K=6.877, a=0.977 , b=0.16
r=6.81180, Pa=0.977002, Pb=0.16

ii)Polymath:
K=7.0, a=0.9863, b=0.1673
r=7.005, Pa=0.98639, Pb=0.1673

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Ex.No McCABE THIELE METHOD USING MATLAB

AIM:

To find number of trays required to design a distillation column by using McCabe Thiele method in
MATLAB with reference to problem statement.

PROBLEM STATEMENT:

40 mole% A and 60 mole% B feed mixture is section into a distillation column where A is more
component, “A” in distillate is 95% and 96% is to be recovered as distillate product. The feed is half
liquid. The relative volatility of A to B is 2.

FORMULAE REQUIRED:

1. The vapor phase composition

= 1+( −1)

x – liquid phase composition

α – relative volatility

2. Equation of quality factor (q) is

ƒ
= −
−1 −1

3. Enriching section line equation

= −
+1 +1

PROCEDURE:

1. The MATLAB software was opened.

2. The programming code for the McCabe Thiele method.

3. To find number of trays were entered.

4. Thus, the graph was generated.

5. Using the graph, the number of trays were found.

RESULT

The graph was generated to find the number of trays using McCabe Thiele method for ideal binary
distillation.

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Exp no: Polymath - Calculate the Molar volume

Aim:

Use of equation of state to calculate molar volume and compressibility of gas.

Problem statement:
The ideal gas law can represent the PVT relationship of gases only at low pressure.For higher pressure
more complex equation of state should be used.

Formula:

Procedure:
1. Input the given equation
2. Adjust the parameters
3. Select the graph
4. Run the program
5. Save the file

Result:
The volume was found to be

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Ex.No CALCULATION OF MOLAR VOLUME AND COMPRESSIBILITY FACTOR
USING VANDERWAAL’S EQUATION IN POLYMATH.

AIM:
To calculate molar volume ‘V’ and compressibility factor using polymath.

PROBLEM STATEMENT:
The ideal gas law can represent the pressure - volume - temperature relationship of gasses at low
pressure. For higher pressure, equations with more complexity should be used. The calculation of molar
volume and compressibility factor using complex equations requires a numerical solution when the
pressure and temperature are specified.

FORMULA:
1. ( − )(v - b) = RT
2
2 2
2. a=27( )
64
3. b=
8
4. z=

PROCEDURE:
1. The non-linear equations with initial conditions were given .
2. The explicit equations for P,V and T are provided to the polymath software.
3. Enable graphical representation in the tool box.
4. The program was run and the report was noted.
5. The printout was taken and the readings were recorded.

RESULT:
The non linear equation containing volume and compressibility factor was shown and the values were
found to be,
1. Volume = 3

2. Compressibility factor =

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