BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani

Pilani Campus
AUGS/ AGSR Division

SECOND SEMESTER 2024-25

COURSE HANDOUT
Date: 06.01.2025

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 : HARE KRISHNA MOHANTA
Instructors : Hare Krishna Mohanta 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 Book (TB):
Chapra, S. C. and R. P. Canale, Numerical Methods for Engineers, 8th Edition, McGraw Hill Education
(India) Pvt. Ltd., New Delhi, 2021.
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. and Learning Reference
Lecture Session
Outcome (TB Ch./Sec.)

L1.1. Introduction to the course, significance in chemical

1. Introduction, modeling,
computer, error analysis engineering, Handout discussion
L1.2. Concept of simple mathematical model, 1.1-1.2
Learning outcome:
conservation laws and engineering, Role of programming
To understand the 2.1-2.5
and software, Introduction to MATLAB
fundamentals of problem
L1.3. Approximations and round off errors; Taylor 3.1-3.4
formulation and
differentiate between series and truncation errors
4.1-4.4
analytical and numerical
solutions. Importance of
computers and the role of
errors and approximations
in the implementation of
numerical methods
L2.1 Bracketing methods: Graphical, bisection and false 5.1-5.4
2. Roots of equations
position methods; Open Methods: Fixed point iteration
Learning outcome: 6.1
method
To apply the different
numerical techniques for L2.2 Open Methods: Newton Raphson Secant and Brent’s 6.2-6.4
finding roots of equations, Methods
assess their reliability and L2.3 Multiple roots and system of nonlinear equations 6.5-6.6
choosing the best technique
for a specific problem L2.4 Use of MATLAB to solve the various case studies 8.1-8.4
L3.1 Linear algebraic equations and Engineering practice, 9.1-9.2
3. Linear Algebraic Gauss Elimination, Naïve Gauss elimination
equations L3.2 pitfalls, Techniques for improving solutions, Gauss 9.3, 9.4,
Learning outcome: Jordan method 9.7
To apply different L3.3 LU Decomposition and Matrix Inversion methods 10.1-10.3
techniques for Solving L3.4 Special Matrices, Gauss Seidel method 11.1-11.3
problems involving system L3.5 Use of MATLAB to solve the various case studies 12.1-12.4
of linear algebraic equations
and assess their reliability
and choosing the best
technique for a particular
problem
L4.1 Linear Regression 17.1
4. Curve fitting:
regression and L4.2 Polynomial and multiple linear regression 17.2-17.3
interpolation L4.3 General linear least squares and nonlinear 17.4-17.5
regression
Learning outcome:
Fitting curves (linear and L4.4 Newton’s divided difference Interpolation, 18.1-18.2
non-linear) to experimental Lagrange’s interpolation
data and finding accuracy of L4.5 Inverse interpolation, spline interpolation 18.3-18.6
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 BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE, Pilani
Pilani Campus
AUGS/ AGSR Division

a specific linear/non-linear L4.6 Curve Fitting with software packages & Case 19.8, 20.1-
model for a particular studies 20.4
system
L5.1 Trapezoidal rule, Simpson’s 1/3 and 3/8 rule 21.1-21.2
5. Numerical
Differentiation and L5.2 Unequal segment Integration 21.3
Integration L5.3 Differentiation formulas 23.1-23.5
L5.4 Numerical differentiation and integration using 23.6
Learning outcome:
MATLAB
To apply numerical
differentiation and L5.5 Case studies in Engineering 24.1-24.4
integration techniques for
engineering problem
solving. Trade-offs involved
in selecting the best method
for a particular problem
L6.1 Euler’s method and error analysis, improvements of 25.1-25.2
6. Ordinary Differential
Equations: IVPs Euler's method
L6.2 Runge Kutta Methods 25.3
Learning outcome:
To apply numerical L6.3 System of Equations 25.4
techniques for solving first L6.4 Adaptive Runge Kutta Methods 25.5
order ODEs L6.5 Computer Algorithm for solving ODEs using 25
To develop the MATLAB
code/algorithm using L6.6 Stiffness 26.1
MATLAB.
L7.1 Shooting Method 27.1
7. Ordinary Differential
Equations: BVPs L7.2 Finite Difference Method 27.2
L7.3 Computer Algorithm for solving ODEs using 27.3
Learning outcome: To
MATLAB
apply numerical techniques
for solving 2nd order ODEs L7.4 Case studies in Engineering 28.1-28.4
To develop the
code/algorithm using
MATLAB
8. Partial Differential L8.1 PDE’s and Engineering Practice, Elliptic PDE’s: 29.1-29.2
Equations Laplace equation and solution
L8.2 Boundary Conditions 29.3
Learning outcome: To L8.3 Parabolic equation, Heat conduction 30.1-30.3
apply numerical techniques equation, Explicit and Implicit methods
for solving PDEs L8.4 Crank Nicholsan Method, ADI Method 30.4-30.5
To develop the L8.5 Computer Algorithm for solving PDEs using 31.4
code/algorithm using MATLAB
MATLAB
L8.6 Case studies -1 32.1-32.2
L8.7 Case Studies - 2 32.3-32.4

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

6. Evaluation Scheme:
Duration Marks Nature of
Component Date & Time
(Minutes) (Weightage) Component*
Mid-Semester Test 90 90 (30%) 07/03 AN1 CB/OB
During a tutorial CB/OB
Tutorial Tests (Best 6 of 8) 10-15 60 (20%)
class hour
During a regular CB/OB
Class Tests (Best 3 of 4) 10-15 15 (5%)
class hour
MATLAB code based Will be announced CB/OB
10-15 15 (5%)
Quiz/Assignment/Project before one week
CB
Comprehensive Examination 180 120 (40%) 15/05 FN

*CB: Close Book OB: Open Book

7. Chamber Consultation Hour: Monday: 5:00 to 6:00 pm. Please email for making a prior appointment.

8. Notices: All notices concerning this course will be displayed in Google Classroom for this course.
9. Makeup Policy: Make-up for the tests will be granted only in case of illness requiring hospitalization and
accompanying medical certificate. No makeup will be granted for the tutorial tests and surprise class tests.

10. Note (if any): It shall be the responsibility of the individual student to be regular in attending the lectures and to
update oneself on the subjects covered by solving relevant questions and examples.

Instructor-in-charge
Course No. CHE F242