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5.62

Physical Chemistry

4-0-8 units · Undergraduate

Elementary statistical mechanics; transport properties; kinetic theory; solid state; reaction rate theory; and chemical reaction dynamics.

Spring 2008 · Physical Chemistry II

Topics

  • Review of thermodynamics
  • E, A, and S: macroscopic properties for microscopic probabilities {P i }
  • Canonical partition function: replace {P i } by Q
  • Microcanonical ensemble: replace {P i } by Ω, Q vs. Ω
  • Molecular partition function: replace E (assembly) by ε (molecule)
  • Q corrected for molecular indistinguishability
  • Translational part of Boltzmann partition function
  • Boltzmann, Fermi-Dirac, and Bose-Einstein statistics
  • Calculation of macroscopic properties from microscopic energy levels: q trans
  • Internal degrees of freedom for atoms and diatomic molecules
  • Nuclear spin statistics: symmetry number, σ Low temperature limit for rotational partition function
  • Low and high-T limits for q rot and q vib
  • Polyatomic molecules: rotation and vibration
  • Chemical equilibrium I
  • Chemical equilibrium II
  • Model intermolecular potentials
  • Configurational integral: cluster expansion
  • Virial equation of state
  • Thermodynamics of solid: Einstein and Debye models
  • Einstein and Debye solids
  • Phonons: 1-D linear chain of atoms
  • Free electron theory of a metal
  • Heat capacity in metals
  • Band theory of solids
  • Crystal phase equilibria
  • Kinetic theory of gases: Maxwell-Boltzmann distribution
  • Kinetic theory of gases: effusion and collisions
  • Kinetic theory of gases: collision dynamics and scattering
  • Kinetic theory of gases: mean free path and transport
  • Kinetic theory of gases: transport coefficients
  • Transition state theory I
  • Statistical mechanics for photons
  • Rates of unimolecular reactions: RRKM

Readings

  • Hill, Terrill L. An Introduction to Statistical Thermodynamics . New York, NY: Dover, 1987. ISBN: 9780486652429.
    Listed reading
  • Knox, J. H. Molecular Thermodynamics . New York, NY: John Wiley & Sons, 1971. ISBN: 9780471495901.
    Listed reading
  • Andrews, F. C. Equilibrium Statistical Mechanics . New York, NY: John Wiley & Sons, 1975. ISBN: 9780471031239.
    Listed reading
  • Silbey, R., R. Alberty, and M. Bawendi. Physical Chemistry . 4th ed. New York, NY: John Wiley & Sons, 2004. ISBN: 9780471215042.
    Listed reading
  • McQuarrie, D., and J. Simon. Physical Chemistry: A Molecular Approach . University Science, 1997. ISBN: 9780935702996.
    Listed reading
  • Metiu, H. Physical Chemistry: Statistical Mechanics . Taylor & Francis, 2006. ISBN: 9780815340850.
    Listed reading
  • Maczek, A. Statistical Thermodynamics . New York, NY: Oxford University Press, 1998. ISBN: 9780198559115.
    Listed reading
  • Nash, L. Elements of Statistical Thermodynamics . 2nd ed. New York, NY: Dover, 2006. ISBN: 9780486449784.
    Listed reading
  • Callen, H. Thermodynamics and an Introduction to Thermostatistics . 2nd ed. New York, NY: John Wiley & Sons, 1985. ISBN: 9780471862567.
    Listed reading
  • Widom, B. Statistical Mechanics: A Concise Introduction for Chemists . Cambridge, UK: Cambridge University Press, 2002. ISBN: 9780521811194.
    Listed reading
  • McQuarrie, D. Statistical Mechanics . 2nd ed. University Science Books, 2000. ISBN: 9781891389153.
    Listed reading
  • Reif, F. Fundamentals of Statistical and Thermal Physics . New York, NY: McGraw-Hill, 1965. ISBN: 9780070518001.
    Listed reading
  • Kittel, C. Introduction to Solid State Physics . New York, NY: John Wiley & Sons, 1986. ISBN: 9780471874744.
    Listed reading
  • Mayer, J., and M. Mayer. Statistical Mechanics . New York, NY: John Wiley & Sons, 1966.
    Listed reading
  • Sachs, M. Solid State Theory . New York, NY: McGraw-Hill, 1963.
    Listed reading
  • Bube, R. Electrons in Solids . Burlington, MA: Academic Press, 1992. ISBN: 9780121385538.
    Listed reading
  • Ibach, H., and H. Lüth. Solid State Physics . New York, NY: Springer-Verlag, 2003. ISBN: 9783540438700.
    Listed reading
  • Ashcroft, N. W., and, N. D. Mermin. Solid State Physics . Saunders College, 1976. ISBN: 9780030839931.
    Listed reading
  • Kauzmann, W. Kinetic Theory of Gases . Benjamin, 1966.
    Listed reading
  • Houston, P. Chemical Kinetics and Reaction Dynamics . New York, NY: Dover, 2006. ISBN: 9780486453347.
    Listed reading
  • LEC #: 1 · TOPICS: Review of thermodynamics · READINGS: H: 1-6
    Reading assignment
  • LEC #: 2 · TOPICS: E, A, and S: macroscopic properties for microscopic probabilities {P i } · READINGS: H: 6-20
    Reading assignment
  • LEC #: 3 · TOPICS: Canonical partition function: replace {P i } by Q · READINGS: H: 12-13 and 18-20
    Reading assignment
  • LEC #: 4 · TOPICS: Microcanonical ensemble: replace {P i } by Ω, Q vs. Ω · READINGS: H: 26-30 and 33-38
    Reading assignment
  • LEC #: 6 · TOPICS: Q corrected for molecular indistinguishability · READINGS: H: 68-70
    Reading assignment
  • LEC #: 7 · TOPICS: Translational part of Boltzmann partition function · READINGS: H: 74-77
    Reading assignment
  • LEC #: 8 · TOPICS: Boltzmann, Fermi-Dirac, and Bose-Einstein statistics · READINGS: H: 59-72
    Reading assignment
  • LEC #: 9 · TOPICS: Calculation of macroscopic properties from microscopic energy levels: q trans · READINGS: H: 74-81
    Reading assignment
  • LEC #: 18 · TOPICS: Model intermolecular potentials · READINGS: H: 261-274
    Reading assignment
  • LEC #: 21 · TOPICS: Thermodynamics of solid: Einstein and Debye models · READINGS: H: 86-98
    Reading assignment
  • LEC #: 22 · TOPICS: Einstein and Debye solids · READINGS: H: 98-105 and 490-495
    Reading assignment
  • LEC #: 24 · TOPICS: Free electron theory of a metal · READINGS: H: 441-444
    Reading assignment
  • Readings of relevant pages in several standard texts are listed per lecture. No single textbook is satisfactory for the topics covered (and the level at which they are covered) in 5.62. It is expected that you will spend 5-10 minutes previewing each day’s lecture notes before class .
    Listed reading

Prerequisites & course information

Prereq: 5.601 , 5.602 , 5.611 , and 5.612 U (Spring) 4-0-8 units

Sources