ChE 641A Mathematical Methods in Chemical Engineering

2019-20-I Semester
Instructor: V. Shankar, Room No. 205, Northern Lab II; Email: vshankar@iitk.ac.in;
Phone 7377.

Teaching Assistants: Shailendra Yadav, Lakshmi Kushwaha, and D. Harish; Northern

Lab II Room 203; Email: shapgche@iitk.ac.in, lakshmik@iitk.ac.in, dharish@iitk.ac.in;
Phone: 7175.

Lectures: Mondays and Thursdays, L-13, Lecture Hall Complex; 12:00 - 1:15 p.m.

Course Organization:
All assignments and announcements will be sent via e-mail to the course list
(che641a@iitk.ac.in).

Course Objectives:
Modern chemical engineering analysis and design involves mathematical description
of various physical processes that underlie industrial chemical engineering operations. As
a result, it becomes imperative for a post-graduate chemical engineer to have a thorough
knowledge and skill in various mathematical tools that are used to analyze chemical engi-
neering problems. The objective of this course is to introduce, as much as possible from
first principles, a slew of methods that are essential for mathematical modelling. By defini-
tion, this course will cover largely analytical methods, as opposed to numerical methods.
Both are equally important. However, even numerical methods are based on mathematical
principles that are ‘enacted’ using a computer, so even if one intends to solve a problem
numerically, it is good to have the mathematical basis in mind. At the end of the course,
the student will be well-equipped to use tools from topics including linear operators, eigen-
value problems, multi-variable calculus, ordinary and partial differential equations etc.

Course Outline
• Review of Multivariable calculus: Partial derivatives; Chain rule, exact and inexact
differentials; Applications to thermodynamic relations; Multi-variable Taylor expan-
sion; Maxima and minima of functions of many variables.
• Review of Complex Analysis: Functions of a complex variable; Multivalued func-
tions: Square roots, logarithms, Analytic functions; Cauchy-Reimann conditions;
Poles, residues, Cauchy integral theorems, Contour integration, Calculus of residues.
• Linear Algebra: Vectors and Linear Spaces; Subspaces; Length, Distance, and
Alignment; Linear Independence and Bases; Linear Operators and Matrices; Ad-
dition and Multiplication of Matrices; Transpose and Adjoint; Einstein Summa-
tion Convention; Gram-Schmidt Orthogonalization and the QR-Decomposition; The
Outer Product, Dyads, and Projection Operator; Systems of Linear Algebraic Equa-
tions; Introduction to Existence and Uniqueness; Solving Ax = b: LU Decomosi-
tion; The Determinant; Rank of a Matrix; Range Space and Null Space of a Matrix;

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 Existence and Uniqueness in Terms of Rank and Null Space; Solvability and Fred-
homs alternative theorem; Least-Squares Solution; Minimum Norm Solution ; Rank,
Nullity, and the Buckingham Pi Theorem; Systems of Nonlinear Algebraic Equa-
tions: the Newton-Raphson Method; Linear Coordinate Transformations; The Alge-
braic Eigenvalue Problem. Self-Adjoint Matrices; General (Square) Matrices; Posi-
tive Definite Matrices ; Eigenvalues, Eigenvectors, and Coordinate Transformations;
Similarity transforms; diagonalization of matrices; Functions of matrices: polyno-
mials and exponential; Quadratic forms; Maxima and Minmia of functions of many
variables using eigenvalues of the Hessian matrix.

• Ordinary Differential Equations: Introduction; First-Order Linear Systems; Su-

perposition Principle for Linear Differential Equa- tions; Homogeneous Linear Sys-
tems with Constant Coefficients; Delta Function; Solution of system of ODEs via
similarity transormation; Linear Equations with Variable Coefficients; Introduction;
The Cauchy-Euler Equation; Series Solutions and the Method of Frobenius; Bessel
and Legendre equations; Function Spaces and Differential Operators;Functions as
Vectors; Inner products and orthgonality of functions; Self-Adjoint Differential Op-
erators and Sturm-Liouville Equations; Differential eigenvalue problems; Eigenfunc-
tion expansions (e.g. Fourier series); Existence and Uniqueness of Solutions; Solv-
ability and Fredholms alternative; Greens functions for ODEs; Integral transforms
(Fourier and Laplace); Laplace Transform Methods for Solving the Inhomogeneous
Constant-Coefficient ODEs.

• Linear Partial Differential Equations: Properties and Solution Techniques; Clas-

sification and Canonical Forms for Second-Order Partial Differential ; Separation
of Variables and Eigenfunction Expansion with Equations involving the Laplacian
operator; Laplaces Equation in 2D and cylindrical coordinates; Diffusion equation;
Spherical Harmonics, and the Hydrogen Atom; Applications of the Fourier and
Laplace Transform to solution of linear PDEs; Greens Function solution to diffusion
equation; Method of images.

Text books
There is no single text book that is uniformly appropriate for all the topics mentioned
above. I will be teaching material that are in various sources, and from my own notes.
However, the following texts cover most of the topics mentioned here.

1. Mary L. Boas, Mathematical Methods in the Physical Sciences, Third Edition.

2. Arvind Varma and Manford Morbidelli, Mathematical Methods in Chemical Engi-

neering.

3. S. Pushpavanam, Mathematical Methods in Chemical Engineering.

Reference books

1. Michael Greenberg, Advanced Engineering Mathematics.

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 2. R. Shankar, Basic Training in Mathematics: A Fitness Program for Science Students.

3. Ken Riley, Mike Hobson and Stephen Bence, Mathematical Methods for Physics and
Engineering, Third Edition.

Scheme of Assessment
Assignments: 10%
Mid-semester exam: 35%
End-semester exam: 50%
Class attendance: 5%

Note that mid-semester and end-semester exams will be held as per the timetable that
will be issued by DOAA. If a student misses the mid-semester exam for valid reasons (as
certified by SUGC/SPGC, as the case may be), then a make-up exam will be held at the end
of the semester, with the dates decided by the instructor in consultation with the student.
If a student misses the end-semester exam, then the student has to apply to DOAA for
permission to take the make-up exam.
Students who are absent for an exam for valid reasons must inform the Instructor as
soon as possible (by email/phone/letter) explaining their absence.

What I expect from you:

• Attend all lectures.

• Be at the right time for the class.

• Do not talk among yourselves during the lecture.

• Make detailed notes during the lecture.

• Solve all assignments, and submit them on time.

• If you could not attend a lecture due to unavoidable reasons, make notes of the ma-
terial from your colleagues.

• Stop me during the lecture, if the discussion is not clear to you.

• Make your mobile phones silent during lectures.

• Try and understand the material covered in each lecture on the same day; this habit
will take you a long way in understanding and appreciating the course.