Mathematics for Chemists

Paper Code: 
24CHY125 (A)
Credits: 
2
Contact Hours: 
30.00
Max. Marks: 
100.00
Objective: 

This course will enable the students to-

get acquainted with the fundamentals of analytical mathematics and their use in some important applications of chemistry (e.g. Huckel theory, maximally populated rotational energy levels and Bohr’s radius) and aware about the concept of matrix properties, calculus, probability and elementary differential equation (first order & first degree).        

 

Course Outcomes (COs):

Course

Learning outcome

(at course level)

Learning and Teaching Strategies

Assessment Strategies

Course Code

Course

Ttitle

 

24CHY125 (A)

 

Mathematics for Chemists

 (Theory)

CO25:Employ basic operations like addition, multiplication, transpose, inverse and determinant of matrices.

CO26: Differentiate one variable function up to a higher order, two variable functions up to second order.

CO27:Apply the basic rules of integration on one variable function and product of one variable functions.

CO28:Analyze the simple problems of permutation, combination, probability, concept of scalars and vectors and their operations.

CO29:Distinguish between the concept of order and degree of differential equation and solve first order and first degree linear differential equation.

 CO30:Contribute effectively in course-specific interaction.

Approach in teaching:

Interactive lectures, tutorials, group discussions and e-learning.

 

Learning activities for the students:

Peer learning, e- learning, problem solving through tutorials and group discussions.

 

 

Written examinations,

Assignments, Quiz

 

 

6.00
Unit I: 
Matrix Algebra

Matrix properties: Matrix addition and multiplication, adjoint, transpose and inverse of matrices, special matrices (symmetric, skew-symmetric, unit, diagonal), determinants (examples from Huckel theory).

 

6.00
Unit II: 
Differential Calculus

Rules for differentiation, applications of differential calculus including maxima and minima (examples related to maximally populated rotational energy levels, Bohr’s radius and most probable velocity from Maxwell’s distribution etc.), partial differentiation, co-ordinate transformations.

6.00
Unit III: 
Integral Calculus

Integral calculus: Basic rules for integration, integration by substitution, integration by parts and through partial fraction.

6.00
Unit IV: 
Permutation, Probability, Vector Algebra and Calculus

Permutation and probability: Permutations and combinations, probability and probability theorems, curve-fitting (including least squares fit etc.) with a general polynomial fit.

Scalars and vectors, addition, subtraction and multiplication of vectors, vector operators-gradient, divergence and curl (expressions only).

6.00
Unit V: 
Elementary Differential Equations

Order and degree of differential equation solution of first order and first degree linear differential equation by variable-separable, homogenous and linear equations, applications to chemical kinetics, secular equilibria, quantum chemistry etc.

Essential Readings: 

The Chemistry Maths Book, Second Edition; E. Steiner; Oxford University Press, New York, 2011

References: 
  1.  Basic Mathematics for Chemists, Second Edition; P. Tebbutt; John Wiley and Sons, 2001.
  2. Maths for Chemists, Second Edition; G. Doggett and M. Cockett; Royal Society of Chemistry, 2012.
  3. Mathematics for Physical Chemistry, Second Edition; Mc Quarrie, D. A.; University Science Books,2008.

e-Resources:

  1. https://nptel.ac.in/courses/104104081
  2. https://openstax.org/books/calculus-volume-1/pages/5-5-substitution
  3. https://www.birmingham.ac.uk/Documents/college-eps/college/stem/Student-Summer-Education-Internships/Maths-for-Chemists-Booklet.pdf
  4. https://global.oup.com/uk/orc/chemistry/steiner2e/01student/manual/

 

 

Academic Year: 
2024-2025
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