Introduction To Molecular Thermodynamics

By Prof. Srabani Taraphder   |   IIT Kharagpur
Learners enrolled: 37
ABOUT THE COURSE : This course is designed to use fundamental concepts of statistical mechanics in simple real world problems. Starting from simple molecular models of systems like solids, liquids and gases, the students would learn how to obtain their thermodynamic properties that are usually measured in experiments.

PRE-REQUISITES: Introduction to (1) quantum mechanics (2) probability and statistics
INDUSTRIES APPLICABLE: Chemical and pharmaceutical industries, Software development for molecular modeling
Course Status : Upcoming
Course Type : Core
Duration : 8 weeks
Start Date : 23 Jan 2023
End Date : 17 Mar 2023
Exam Date : 26 Mar 2023 IST
Enrollment Ends : 30 Jan 2023
Category :
  • Chemistry
Credit Points : 2
Level : Undergraduate

Page Visits

Course layout

Week 1: Review of mathematical methods and classical thermodynamics
Week 2: Introduction to micro- and macroscopic states, ensembles
Week 3: Microcanonical ensemble and application to simple non-interacting systems
Week 4: Canonical ensemble and application to simple non-interacting systems
Week 5: Monatomic and diatomic ideal gases
Week 6: Heat capacity of solids – Einstein and Debye model
Week 7: Introduction to classical statistical mechanics and application to real gases and liquids
Week 8: Molecular thermodynamics of simple chemical reactions and transition state theory

Books and references

1. Physical Chemistry – Statistical Mechanics, H. Metiu (Taylor & Francis, 2006); Molecular Thermodynamics, D. A. McQuarrie and J. D.
2. Simmons (Viva Books 2010); Statistical Mechanics, D. A. McQuarrie (Viva Books 2011)

Instructor bio

Prof. Srabani Taraphder

IIT Kharagpur
Srabani Taraphder is a theoretical chemist. Her research interest is focused on the physics of biochemical reactions. She uses principles of quantum and statistical mechanics to carry out computer simulation studies of chemical reactions catalyzed by enzymes.

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: 
26 March 2023 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 6 assignments out of the total 8 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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