BIRLA INSTITUTE OF TECHNOLOGY & SCIENCE, PILANIHYDERABAD CAMPUS

INSTRUCTION DIVISION
Second Semester 2014-2015
Course Handout (Part-II)
Date: 12/01/2015
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.
Course Title
Instructor-in-Charge

: CHE F 242
: Numerical Methods for Chemical Engineers
: Dr. Vikranth Kumar Surasani

Scope:
With the increase in the computational power and the wide spread availability of
computers (esp. PCs), Numerical methods evolved as a tool to address many complex
physic-chemical phenomena. Today, numerical methods are powerful tools to solve
complex problems of engineering and environmental systems etc. The techniques of
Numerical Methods must be complemented with any computer programming that
converts the system of equations into simple arithmetic operations. Many
commercial tools Ansys Fluent, Aspen, MatLab and etc are based on these numerical
techniques written in the form of algorithms and functions. In this course you
will be learning about the mathematical background behind the Numerical Methods,
the detailed knowledge of numerical techniques and programming the numerical
methods with Matlab.

Objectives:
You should embark on the study of Numerical methods
The role of computers & Programming in implementing numerical methods for
solving Engineering problems and Design of new methods.
You will be learning the basics behind the most of the commercial tools
using for numerical simulation
You will be able to generate your own code for solving any physio-chemical
processes which is a part of the system or a system as whole.
You be dealing with Matlab as a part of this course for programming
numerical methods and for the data visualization.

Text Books:
TB1

Steven C Chapra, Raymond P Canale, Numerical Methods for Engineers, Tata

McGraw-Hill Special Indian 5th Edition 2007.

Reference Books:
RB1

Stefan J. Capmann Matlab Programming for Engineers, 4th Ed. Cengage

Learning. (Available from Books 24x7)

Numerical Tools:
NT1

Matlab

Course Plan:
Lec. Learning
No. Objectives

Topics to be covered

TB /NT

Modeling and
Computers

2-3

Introduction
to MatLab

46

Error analysis Significant digits, accuracy, precision, error

definitions; Concept of iterative calculations;
Round off errors; Computer representation of
numbers; Arithmetic manipulations of computer
numbers; Taylor series; Truncation error
estimation, Propagation of errors and total
numerical error, blunders, formulation errors
and data uncertainty;
Roots of
Engineering practice; Introduction to graphical
equations
method; Bisection method; False Position
(Bracketing
methods; Incremental searches and initial
methods)
guess.
Roots of
Single point Iteration; Newton Raphson method;
equations
Secant method; Brents method; Multiple roots
(Fixed point
and system of non-linear equations.
methods)
Roots of
Polynomials in Engineering; Computing with
Polynomials
polynomials; Muller and Bairstows method; Case
studies in Engineering
Linear
Linear algebraic equations and Engineering
Algebraic
practice; Gauss Elimination; Nave Gauss
equations
elimination; pitfalls, Techniques for improving
solutions.
Linear
Gauss Jordan method; LU Decomposition and
Algebraic
Matrix Inversion methods; Special Matrices,
equations
Gauss Seidel method; Case studies in
Engineering
Curve fitting Curve fitting and Engineering Practice, Least
(regression)
square fit of straight line, Linearization of
non-linear relationships
Curve fitting Polynomial regression, Multiple linear
(regression)
regression, Non-linear regression
Curve fitting Divided difference Interpolation formula,
(Interpolation
Lagranges interpolation, Spline interpolation,
)
Case studies
Numerical
Role in Engineering, Newton Cotes formula,
Integration
Trapezoidal rule, Simpsons 1/3 and 3/8 rule,
Unequal segment Integration, Multiple integrals
Numerical
High accuracy differentiation formulas, Case
Differentiatio
studies in Engineering
n
Ordinary
ODEs and Engineering Practice, Eulers method
nd
Differential
and error analysis, Runge Kutta methods (2 and
equations
Higher order), System of ODEs, Adaptive Runge
(ODE)
Kutta method
Ordinary
Concept of stiffness, Multistep methods (NonDifferential
starting Heuns method)
equations
(ODE)
Ordinary
Methods for Boundary value problems, Eigen
Differential
value problems, Case studies in Engineering
equations
(ODE)
Partial
PDEs and Engineering Practice, Elliptic PDEs,
Differential
Laplace equation and solution technique,

89

10
13
14
15
1618
19

20
21
22
23
25
26
27
28
29

30
31
32
33
34
35

Introduction to the course; Concept of simple

mathematical model and conservation laws; Role
of programming and software.
Graphical Interface; Variables; Built in
functions; Plot tools; Writing functions;
Control structures; Managing variables;

TB
Chap 1
Chap 2
NT1:
Matlab
help
TB
Chap 3
Chap 4

TB
Chap 5
TB
Chap 6
TB
Chap 7&8
TB
Chap 9
TB
Chap
9,10,11,12
TB
Chap 17
TB
Chap 17
TB
Chap 18,20
TB
Chap 21
TB
Chap 23,24
TB
Chap 25

TB
Chap 26
TB
Chap 27
TB
Chap 29

equations
(PDE)
36 Partial
Differential
37
equations
(PDE)
38 - Case Studies
40

Introduction to control volume approach

Parabolic equation, Heat conduction equation,
Explicit and Implicit methods; Case studies in
Engineering

TB
Chap 30

Some examples of Complex Chemical Engineering

problem solutions.

Evaluation Scheme:
EC
No
.

Evaluation
Component

Duration

Weightage
(%)

1.

Test-I

1hr

15

2.

Test-II

1hr

10

3.

Comprehensive

3 hrs.

30

4.

Surprise tests
Open book
Assignments*

5.

Date& Time

Nature of Component

20/2, 12.30 - 1.30

PM
7/4, 12.30 - 1.30
PM

Closed Book
Closed Book

20

Open(70%) /Closed
Book(30%)
Open Book

25

Open Book

05/05 AN

*All Open book assignments are based on Matlab programming. You should
utilize CAD Lab hrs to complete assignments.

Weekly Lecture& Tutorial Time Table:

Tuesday, Thursday :TBA
Wednesday
:TBA
Saturday
:TBA

CAD Lab Hours: (Tentative)

Tuesday

: TBA

Chamber Consultation Hour:

Mon, Wed, Thu TBA.
Notices: All notices concerning this course will be displayed on the
Chemical
Engineering
Notice
Board
and
Course
Management
System(CMS)portal.
Make-up Policy: Make-up is granted only for genuine cases having 85 %
attendance with valid justification. A prior permission from the
Instructor-in-charge is required.

Instructor-in-charge
(Dr. Vikranth Kumar Surasani)
CHE F242