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Applied Statistical Thermodynamics

By Prof. Tamal Banerjee   |   IIT Guwahati
Learners enrolled: 280
ABOUT THE COURSE:
With the current emphasis on nano- and biotechnologies, descriptions at the molecular level can be used to create effective predictions in chemical engineering and physical chemistry. Classical thermodynamics can be used to relate heat and work and to describe various processes, including phase behaviour, chemical reaction equilibria, and flows on changes of state, but it hardly acknowledges the existence of molecules. This information can also be obtained by statistical thermodynamics, which begins with a description of individual molecules. A molecular-level description and statistical thermodynamics helps us to gain useful insights. In this course, only equilibrium properties, not dynamic or kinetic properties such as the kinetic theory of gases or liquids, are examined; thus, the term statistical thermodynamics is used rather than the more comprehensive statistical mechanics.

INTENDED AUDIENCE: Postgraduates from Chemical Engineering, Mechanical Engineering, Physics and Chemistry

PREREQUISITES: Thermodynamics at Undergraduate Level

INDUSTRY SUPPORT: This shall be useful for those industrial personnel who are using computer simulation techniques for analyzing the trajectories of the compounds. This is true for Pharmaceutical and Biotech companies as they frequently use these techniques where the basics lie in the statistical thermodynamic concepts.
Summary
Course Status : Upcoming
Course Type : Elective
Language for course content : English
Duration : 12 weeks
Category :
  • Chemical Engineering
  • Minor 3 in Chemical
  • Mechanical Engineering
  • Physics
  • Chemistry
Credit Points : 3
Level : Postgraduate
Start Date : 20 Jan 2025
End Date : 11 Apr 2025
Enrollment Ends : 27 Jan 2025
Exam Registration Ends : 14 Feb 2025
Exam Date : 27 Apr 2025 IST

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


Page Visits



Course layout

Week 1: Introduction to Statistical Thermodynamics
        Lecture 1: Introduction to Statistical Thermodynamics 
        Lecture 2: Postulates and Boltzmann Distribution
Week 2: Canonical Partition Function                                 
        Lecture 3: Properties of Canonical Partition Function
        Lecture 4: Canonical Partition Function and Thermodynamic Properties
        Lecture 5: Thermodynamic Properties of Ideal Monoatomic Gases
        Lecture 6: Monoatomic Gases and Gibbs Entropy Equation
        Lecture 7: Energy Fluctuations for Monoatomic Gases
Week 3: Monoatomic and Polyatomic Gases                                
        Lecture 8: Diatomic and Polyatomic Gases
        Lecture 9: Vibrational Partition Function
        Lecture 10: Partition Function for Ideal Polyatomic Gas
        Lecture 11: Normal Mode Analysis
        Lecture 12: Illustrations
Week 4: Chemical Reactions                                
        Lecture 13: Non-reacting Ideal Gas Mixture 
        Lecture 14: Chemically Reacting Gas Mixture 
        Lecture 15: Degree of Ionization of Gas Molecules
        Lecture 16: Degree of Ionization of Gas Molecules
Week 5: Other Partition Functions                                
        Lecture 17: Microcanonical and Grand Canonical Ensemble 
        Lecture 18: Isobaric Isothermal Ensemble
        Lecture 19: Fluctuations in Grand canonical and Isothermal Isobaric Ensembles
Week 6: Other Partition Functions                                
        Lecture 20: Semi Grand Canonical Ensemble and Comparison of Ensembles
        Lecture 21: Problems and Adsorption Isotherm
Week 7: Intermolecular Potentials and Virial Coefficients                                
        Lecture 22: Virial Equation of State for Polyatomic Molecules
        Lecture 23: Virial Equation 
        Lecture 24: Virial Equation of State with Higher Order Terms
        Lecture 25: Thermodynamic Properties from Virial Equation
Week 8: Intermolecular Potentials                                
        Lecture 26: Interaction Potentials for Spherical Molecules
        Lecture 27: Inferences from Intermolecular Potentials
        Lecture 28: Engineering Applications of Virial Equation of State
Week 9: Monoatomic Crystals                                
        Lecture 29: Einstein Model
        Lecture 31: Debye_Model
        Lecture 32: Sublimation Pressure and Enthalpy of Crystals
Week 10: Lattice Based Models                                
        Lecture 33: Flory Huggins Model
        Lecture 34: Ising Model
Week 11: Radial Distribution Function and Computer Simulation Models                                
        Lecture 35:        Radial Distribution Function and Computer Simulation Models 
        Lecture 36: Molecular Dynamics Simulations
        Lecture 37: Monte Carlo Simulations
Week 12: Perturbation Theory                                
        Lecture 38: Perturbation Theory for Square Well Potential
        Lecture 39: First and Second Order Barker-Henderson Perturbation Theory

Books and references

1.S. I. Sandler, An Introduction to Applied Statistical Thermodynamics. John Wiley & Sons. Hoboken, NJ, 2010
2.D. A. McQuarrie, Statistical Mechanics, University Science Books, Sausalito, CA, 2000
3.D. Chandler, Introduction to Modern Statistical Mechanics, Oxford University Press, London, 1987.
4.M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1989

Instructor bio

Prof. Tamal Banerjee

IIT Guwahati
Prof. Tamal Banerjee earned his Doctorate degree from Indian Institute of Technology Kanpur in the year 2006. Subsequently, he joined the Indian Institute of Technology Guwahati and is currently a Full Professor at the Department of Chemical Engineering from 2017. He has published over 120 papers in reputed peer reviewed Journals. In 2011, he was awarded the Indo-US Fellowship in Engineering Sciences. He has also authored two books each in CRC Press and Elsevier which discusses experiments and molecular modelling aspect of Ionic Liquids as an extractive agent. Prof. Banerjee’s research focuses on the use of Ionic Liquids and Deep Eutectic Solvents as green solvents concerning both energy generation and environment mitigation. His group uses both ab-initio methods and Molecular Dynamics methods to predict thermodynamic and transport properties. The properties of interests are primarily in predicting activity coefficients for phase diagrams using Continuum Solvation Model such. as COSMO (COnductor like Screening MOdel). His other interests lie in the Reactive Force Field simulations of both renewable (alcohols) and non-renewable (coal and chemical hydrides) energy sources. Recently his group have started evaluating Deep Eutectic Solvents as potential electrolytes and thermal fluids for supercapacitors and solar desalination respectively. He has also initiated thermodynamic pathways using biocompatible gels comprising of Polysaccharide or DES based precursors for drug delivery.

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: April 27, 2025 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.

CRITERIA TO GET A CERTIFICATE

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

Please note that assignments encompass all types (including quizzes, programming tasks, and essay submissions) available in the specific week.

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 Guwahati .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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