A&AE 590D: MOLECULAR GAS DYNAMICS

Day & Time: Tuesday, Thursday 9:00–10:15 am               Room:  RAWL 2077

Prof. A.A. Alexeenko (U-lek-se'-en-ko)
Email:alexeenk@ecn.purdue.edu Office: GRIS 376, Phone: X6-1864
Office Hours: W,Th 1:00 - 2:30 pm

Required Text:
G.A. Bird, Molecular Gas Dynamics and the Direct Simulation of Gas Flows. Oxford Science Publications, 2000.  Computer programs and errata. This book is on reserve in Engineering Library.

Reference Texts:
  • W. G. Vincenti, C. H. Kruger, Introduction to Physical Gas Dynamics. Krieger, 1965.
  • M.N. Kogan, Rarefied Gas Dynamics, Plenum Press,  1969.
  • E.H. Kennard, Kinetic Theory of Gases: With an Introduction to Statistical Mechanics. McGraw-Hill, 1938.
  • J. M. Haile, Molecular Dynamics Simulation. Wiley, 1992.

  • Grading:
    Homework 40%                       Midterm  30 %                       Final Project 30%

    Syllabus:  (pdf)

    Tentative Schedule and Lecture Notes:


    Date

    Topics

    Reference
    8/22

    Molecular hypothesis.

    Elementary gas kinetic theory. Pressure. Avogadro's law.

    Temperature. Gas constants and molecular quantities.

    Kennard, Ch. 1 (p. 1 -27)



    8/24
    8/29
    8/31
    9/ 5

    Molecular collisions. Binary collision dynamics. 
    Collision cross-section and scattering.
    Collision frequency and mean free path. 
    Bird, Ch. 2



    9/7
    9/12
    9/14
    Fluctuations.
    Poisson distribution of the number of molecules in a small volume. 
    Kennard, Ch. VII (p. 275-280)

    9/19
    The Boltzmann Equation: assumptions and derivation.

    Bird, Ch. 3
    9/21
    9/26

    Non-dimensional form of the Boltzmann equation. Similarity criteria.

    Kogan, Ch. 2 (p. 99-104)
    9/28
    Moment transfer equation.
    H-theorem and equilibrium.
    Maxwell velocity distribution function. Gaussian integrals.

    Bird, 3.3, 3.4 & 4.1.

    10/3
    10/5
    10/10
    No class (October break).

    10/12 Conservation equations. Connection between BE and Euler, Navier-Stokes equations.
    Bird, 3.3 (p. 55-61)
    10/17
    Midterm I

    10/19

    Equilibrium fluxes.
    Gas-surface interaction.
    Bird, 4.2
    Bird, 5.8
    10/24
    Free molecular aerodynamics. Professor Gustafson's talk.
    Bird, Ch. 7
    10/26
    Introduction to DSMC. Pseudo random number generators.
    10/31
    Inverse-cumulative and acceptance-rejection sampling from a prescribed distribution.

    11/2

    DSMC procedure, requirements and algorithms. Parallel implementations



    11/7

    Collisional sampling in the DSMC: No-time-counter and majorant frequency.


    11/9
    11/14

    Transport phenomena. Viscosity, thermal conductivity, diffusivity.


    11/16
    11/21
    11/23
     No class.Thanksgiving break.

    11/28
    Internal energy of molecules. Boltzmann distribution, partition function. Heat capacity of calorically imperfect gas.
    Vincenti,IV.12
    11/30
    Internal energy relaxation and chemical reactions.
    Bird, 5.3-7, 6.1-3
    12/5
    DSMC applications to high-altitude aerothermodynamics.
    12/7
    Discrete-ordinate method for solution of Boltzmann and model kinetic equations. Applications of kinetic methods to microflows.
    Homework:
    Homework 1 due 09/05pdf (download velocity data file mols.dat).  Solution: hw1.m
    Homework 2 due 09/14pdf. Solution: pdf.
    Homework 3 due 09/26pdf. Solution:
    Homework 4 due 10/10pdf. Solution: pdf.
    Homework 5 due 10/31pdf. Solution: pdf.
    Homework 6 due  11/16: pdf.
    Homework 7 due  12/5:   pdf.

     Course project info