Mathematical modelling and simulation of chemical engineering process

By Prof. Sourav Mondal   |   IIT Kharagpur
Learners enrolled: 888
The course is designed to enlighten you with different mathematical modelling approaches and strategies of chemical engineering process and design, both stochastic and deterministic. The course contents involved advanced theoretical framework of different types of transfer process related to heat, mass and fluid flow. The simulation techniques of these process are also covered. We also include dispersed phase modelling and modelling of stochastic processes.

INTENDED AUDIENCE: Undergraduate, post graduate and research students. Working professionals particularly in chemical and process industries. PG course instructors

PREREQUISITES: Essential: Engineering mathematics (at UG level, Numerical methods (UG level). Desirable: Basics of fluid mechanics, heat and mass transfer.

INDUSTRY SUPPORT: Petroleum refining, Petrochemicals, Polymers, Paint, Adhesives, Batteries, energy consultancy, Process design, etc.
Course Status : Completed
Course Type : Elective
Duration : 12 weeks
Category :
  • Chemical Engineering
  • Computational Chemical Engineering
Credit Points : 3
Level : Undergraduate/Postgraduate
Start Date : 25 Jul 2022
End Date : 14 Oct 2022
Enrollment Ends : 08 Aug 2022
Exam Date : 29 Oct 2022 IST

Note: This exam date is subjected to change based on seat availability. You can check final exam date on your hall ticket.

Page Visits

Course layout

Week 1: Introduction. Classification of different process types and modelling approaches. Constitutive relations in Fluid flow, Heat and mass transfer.
Week 2: Introduction to special functions: Bessel and Legendre polynomial. Mathematical background in solving PDEs. Separation of variables, Laplace and Fourier transform.
Week 3: Numerical techniques in solving PDE – Method of lines, implicit and explicit methods. Numerical stability schemes.
Week 4: Perturbation methods, asymptotic analysis. Stability of dynamical systems.
Week 5: Modelling of Mass transfer based transport problems.
Week 6: Mass transfer with reaction problems. Modelling enzymatic and cellular reaction process. Demonstration of COMSOL Multiphysics.
Week 7: Modelling and simulation of multistage multicomponent continuous distillation process.
Week 8: Multi-stage distillation process design – continued. Pinch analysis. Heat exchanger network design.
Week 9: Heat exchanger network continued. Aspen Plus demonstration
Week 10: Dispersed phase modelling using population balance methods.
Week 11: Dispersed phase modelling – continued. Solution of population balance equations.
Week 12: Basics of Kinetic Monte Carlo simulation. Response surface methodology. Artificial Neural Network Design.

Books and references

  1. Applied mathematical methods for chemical engineers – Norman W. Loney
  2. Mathematical Modelling and Simulation in Chemical Engineering – M. Chidambaram
  3. Mathematical Modeling: A Chemical Engineer's Perspective – Rutherford Aris
  4. Mathematical Methods in Chemical Engineering – Morbidelli Varma, Arvind Varma, A. Varma, Massimo Morbidelli
  5. Separation Process Principles with Applications Using Process Simulators - D. Keith Roper, Ernest J. Henley, and J. D Seader.

Instructor bio

Prof. Sourav Mondal

IIT Kharagpur
Prof. Sourav Mondal is actively involved in mathematical modelling of chemical engineering processes. His research activities involve studying the physical process in the broad spectrum of fluid flow and mass transfer. He has been the instructor of a similar course at IIT Kharagpur for the past 3 years teaching to several undergraduate, master and PhD graduates.

Course certificate

The course is free to enroll and learn from. But if you want a certificate, you have to register and write the proctored exam conducted by us in person at any of the designated exam centres.
The exam is optional for a fee of Rs 1000/- (Rupees one thousand only).
Date and Time of Exams: 29 October 2022 Morning session 9am to 12 noon; Afternoon Session 2pm to 5pm.
Registration url: Announcements will be made when the registration form is open for registrations.
The online registration form has to be filled and the certification exam fee needs to be paid. More details will be made available when the exam registration form is published. If there are any changes, it will be mentioned then.
Please check the form for more details on the cities where the exams will be held, the conditions you agree to when you fill the form etc.


Average assignment score = 25% of average of best 8 assignments out of the total 12 assignments given in the course.
Exam score = 75% of the proctored certification exam score out of 100

Final score = Average assignment score + Exam score

YOU WILL BE ELIGIBLE FOR A CERTIFICATE ONLY IF AVERAGE ASSIGNMENT SCORE >=10/25 AND EXAM SCORE >= 30/75. If one of the 2 criteria is not met, you will not get the certificate even if the Final score >= 40/100.

Certificate will have your name, photograph and the score in the final exam with the breakup.It will have the logos of NPTEL and IIT Kharagpur. It will be e-verifiable at nptel.ac.in/noc.

Only the e-certificate will be made available. Hard copies will not be dispatched.

Once again, thanks for your interest in our online courses and certification. Happy learning.

- NPTEL team

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