BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani

Pilani Campus
AUGS/ AGSR Division

SECOND SEMESTER 2021-22

COURSE HANDOUT
Date: 14.01.2023

In addition to part I (General Handout for all courses appended to the Time table) this portion gives further
specific details regarding the course.
Course No. : CHE F242
Course Title : Numerical Methods for Chemical Engineers
Instructor-in-Charge : AJAYA KUMAR PANI
Instructors : Srinivas Appari and Priya C. Sande

1. Course Description:
Introduction to mathematical modeling and engineering problem solving, Use of software packages and
programming, Errors and approximations including error propagation and numerical error, Roots of
equations: Linear algebraic equations, 1-D and multi-dimensional unconstrained optimization including
gradient methods, Linear programming, Non-linear constrained optimization, Optimization with packages,
Least Squares Regression including quantification of error, Polynomial regression, Lagrange, inverse and
spline interpolation and Fourier approximation, Engineering applications, Numerical differentiation and
integration, Ordinary differential equations, Partial differential equations, Engineering applications.
2. Scope and Objective of the Course:
Several chemical engineering problems involve finding roots in a higher order equation, solving
simultaneous set of algebraic equations, solving differential equations etc. Quite often, these equations are
not amenable to analytical solutions. In such cases, use of numerical methods is necessary which then
provides a way for the engineer to translate the language of mathematics and physics into information that
may use to make engineering decisions. This course will provide students with an exposure to numerical
techniques which can be used to solve algebraic and differential equations of varying complexity. Numerical
methods for differentiation, integration and curve fitting techniques will also be covered. Strong emphasis
will be placed on problem solving based on case studies in engineering. Specific focus in case studies will
be application of numerical techniques and scientific computing to the practice of chemical engineering. The
role of computers and software along with identification, quantification and minimization of errors involved
in numerical analysis will also be highlighted.
3. Text Books:
Chapra, S. C. and R. P. Canale, Numerical Methods for Engineers, 7th Edition, McGraw Hill Education
(India) Pvt. Ltd., New Delhi, 2015.
4. Reference Books:
1. Kenneth J Beers, Numerical Methods for Chemical Engineering, Cambridge University Press, 2007.
2. Chapra, S. C., Applied Numerical Methods with MATLAB for Engineers and Scientists, 3rd Edition,
McGraw Hill, 2012.

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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

5. Course Plan:

Module No Lecture Session Reference Learning outcome

1.1 Introduction to the

course, significance in
chemical engineering,
Hand out

1.2 Concept of simple

mathematical model,
Ch. 1
conservation laws and Fundamental understanding of
engineering problem formulation, difference
1.
between analytical and numerical
Introduction, 1.3 Role of
solutions, importance of
modeling, programming and
Ch. 2 computers and the role of
computer, software, Introduction to
approximations and errors in the
error analysis MATLAB
implementation and development
1.4 significant figures, of numerical methods
accuracy and precision,
Ch. 3
error definition, round
off error

1.5 Truncation error,

Taylor series, error Ch. 4
propagation

2.1 Roots of equations

and Engineering
practice, introduction to Ch. 5.1
graphical method for and 5.2
finding root, Bisection
method Different numerical techniques for
finding roots of equations, assess
2. Roots of
2.2 false position their reliability and choosing the
equations Ch. 5.3
method, incremental best technique for a specific
and 5.4
searches problem

2.3 open methods:

Single point Iteration, Ch. 6.1
Newton Raphson and 6.2
method

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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

2.4 Secant method, Ch. 6.3

Muller method and 7.4

2.5 Use of MATLAB to R2: Ch. 5

find roots of equations and Ch. 6

2.6 Case Studies Ch. 8

3.1 Linear algebraic

equations and
Ch. 9.1
Engineering practice,
and 9.2
Gauss Elimination,
Naïve Gauss elimination

3.2 pitfalls, Techniques

for Ch. 9.3,
improving solutions, 9.4 and 9.7
Gauss Jordan method
Different techniques for Solving
3.3 Application of problems involving system of
3. Linear Gauss method using R2: Ch. 9 linear algebraic equations and
Algebraic MATLAB assess their reliability and
equations
3.4 LU Decomposition choosing the best technique for a
and Matrix Inversion Ch. 10 particular problem
methods

3.5 Special Matrices,

Ch. 11
Gauss Seidel method

3.6 MATLAB
application for LU R2: Ch 10
decomposition, Gauss- and 11
Siedel

3.7 Case studies Ch. 12

4.1 One dimensional Solving engineering problems

4. unconstrained dealing with optimization, finding
Ch. 13
Optimization optimization, golden minimum/maximum value for a
section search specific property/variable etc

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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

4.2 constrained
optimization, the Ch. 15
Simplex method

4.3 Simplex method,

Ch. 15
MATLAB applications

4.4 Case studies Ch. 16

5.1 Curve fitting and

Engineering Practice,
Ch. 17.1
Least square fit of
straight line

5.2 Linearization of
non-linear relationships,
Polynomial regression, Ch. 17.2 to
Multiple linear 17.5
regression, Non-linear
Fitting curves (linear and non-
Regression linear) to experimental data and
5. Curve
finding accuracy of a specific
fitting 5.3 Regression using
R2: Ch. 15 linear/non-linear model for a
excel and MATLAB
particular system
5.4 Newton,s Divided
difference Interpolation Ch. 18.1,
formula, Lagrange’s 18.2
interpolation,

5.5 Inverse
Ch. 18.4,
interpolation, spline
18.6
interpolation

5.6 Case studies Ch. 20

6.1 Newton Cotes

6. Numerical formula, Trapezoidal Application of numerical
Differentiatio rule, Ch. 21.1, differentiation and integration
n and 21.2 techniques for engineering
Integration Simpson’s 1/3 and 3/8 problem solving. Trade-offs
rule involved in selecting the best

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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

6.2 Unequal segment Ch. 21.3 method for a particular problem

Integration, MATLAB and R2:
Application Ch. 19

6.3 High accuracy

differentiation formulas,
Numerical
Ch. 23
differentiation and
integration using
MATLAB

6.4 Case studies in

Ch. 24
Engineering

7.1 ODE’s and

Engineering Practice,
Euler’s method and Ch. 25.1,
error analysis, 25.2
improvements of Euler's
method

7.2 Runge Kutta

methods (2nd and Ch. 25.3, Numerical techniques for solving
7. Ordinary Higher order), System 25.4, 25.5 ODEs and eigen value problems,
Differential of ODE’s, assess the reliability of the answers
Equations and choosing the best method for a
7.3 Adaptive Runge- Ch. 25.5,
particular problem.
Kutta method, stiffness 26.1

7.4 Methods for

Boundary value
27.1, 27.2
problems, Eigen value
problems

7.5 Case Studies,

Ch. 28
MATLAB Applications

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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

8.1 PDE’s and

Engineering Practice,
Elliptic PDE’s, Laplace
equation and solution Ch. 29
technique, Introduction
to control volume
8. Partial Techniques for solving PDEs with
approach
Differential more than one independent
Equations 8.2 Parabolic equation, variable
Heat conduction
equation, Explicit and Ch. 30

Implicit methods

8.3 Case studies Ch. 31

6. Evaluation Scheme:
Marks Nature of component
Component Duration Date & Time
(%) (Close Book/ Open Book)
Mid-Semester Test 90 Min. 90 (30) (Close Book/ Open Book)
Comprehensive
180 min 120 (40) (Close Book/ Open Book)
Examination
10-15
Surprise tests+ 30 (10) (Close Book/ Open Book)
minutes
10-15
Tutorial Tests* 60 (20) During tutorial class hour (Close Book/ Open Book)
minutes
+
2 surprise tests will be conducted (one before and one after Mid sem)
* Best 4 tut marks out of a total of 5 will be considered.

7. Chamber Consultation Hour: Monday: 5:00 to 6:00 pm. Please email for making a prior appointment.
8. Notices: Will be posted on google classroom
9. Makeup Policy: Make-up is granted only for genuine cases with valid justification and prior permission
of the Instructor-in-charge. No makeup for the tutorial test and surprise tests during lecture hours.

Instructor-in-charge
Course No. CHE F 242