AE747A: Molecular Gas Dynamics

Instructor: Rakesh K. Mathpal

Email id: rkm@iitk.ac.in
Department of Aerospace Engineering
Indian Institute of Technology Kanpur

Course Syllabus (1/2)

Molecular Model: Need for a molecular description of fluid flow,
ideal gas equation, real gas effects, van der Waals equation of
state, virial equation, simple dilute gas, concepts of equilibrium,
macroscopic properties.
Molecular Collisions: Elastic collisions, concepts of collision
cross-section, collision frequency, mean free path, collision rate
constant, hard sphere model, variable hard sphere model,
inelastic collisions, rotational and vibrational relaxation numbers.
Statistical Mechanics: Boltzmann/Bose/Fermi statistics,
concepts of microstates and macrostates, most probable
macrostate, thermodynamic probability, fundamental concepts of
entropy etc.

Course Syllabus (2/2)

Basic Kinetic Theory: Velocity distribution function, Derivation of
the Boltzmann equation and its importance, H-theorem etc.
Boundary conditions: Diffuse, specular, tangential momentum
and thermal accommodation coefficients.
Direct Simulation Monte-Carlo (DSMC) Method: How it works,
move and collision models, gas-surface interactions, calculation of
macroscopic properties, example(s).
Molecular Dynamics (MD) method: How different from the
DSMC method, how it works, integration of the equation of motion,
example(s).
Measurements in Low Density Flows

Course Objectives
To understand the concepts, procedures and applications of the
kinetic theory of gases.
To develop an ability as to when and where to apply the
microscopic description of fluids.
To show how atomistic/molecular interactions lead to
macroscopic thermodynamic observables.
To introduce the concepts of statistical mechanics; show how
statistical mechanics interacts with kinetic theory.
To introduce the basic solution procedures for the DSMC and
MD methods through some examples.
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Text Books/References
1. Introduction to Physical Gas Dynamics, Vincenti and Kruger, Krieger
Publishers, 1975.
2. Molecular Gas Dynamics and Direct Simulation of Gas Flows, Bird G.A., Oxford
Science Publications.
3. Rarefied Gas Dynamics, Shen C., Springer Publications, 2010.
4. Statistical Thermodynamics, Launderau, .
5. Hypersonic and High Temperature Gas Dynamics, Anderson J.D., AIAA
Publications, 2012.
6. High Temperature Gas Dynamics, Bose T.K., Springer Publications, 2003.
7. Molecular Simulation of Liquids, Allen M.P. and Tildesley D.J., Oxford University
Press, 1989.
8. Understanding Molecular Simulation, Frenkel B. and Smit B., Elsevier, 2001.

Grades/Policies
1. Please attend all the lectures. You are responsible for all the material
covered and announcements made in the class.
2. Submit all your homework problems in time. You are encouraged to
discuss concepts amongst yourselves, however, please attempt your
assignments on your own. A homework submitted after the due date will
not be assigned any credit.
3. Final grades will be determined on the following basis: Mid+Final 50%,
Homeworks 8%, Computational Projects 12%, Quizzes - 20%, Term
paper 10%. The midterm and final exams will be administered according
to the academic calendar 2016-17 (available at IITK website). Information
about the quizzes will be given one week in advance. Term paper will be
assigned in the last week of February, and will involve reviewing a journal
article, making a presentation and/or submitting a report.
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Grades/Policies
4. The grades in this course will be according to the following scale: A
[87.5-100], B [75-87.5), C [62.5-75), D [50-62.5).
5. This is a graduate level course - I expect you to be able to go back and
fill in the gaps you may have. Nevertheless, I encourage you to come to
me if you need help.
6. Official travel/sickness may force me to miss a scheduled class once in
a while. Make up classes will be scheduled according to the convenience
of the class. Your kind cooperation will be highly appreciated.
7. You are encouraged to interrupt me if you have questions or comments.
8. Wish all of us a Best of Learning!!! Together we learn!!!
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