CH6180 – Molecular Theory of Solutions


CH6180 – Molecular Theory of Solutions


Course Content:

Postulates of statistical mechanics, ensembles, canonical ensemble. partition functions and derivatives, configurational integral, fluctuations, energy, density, particle densities & molecular distribution functions (canonical ensemble). Equations relating thermodynamic properties to g(r). Potential of mean force. Grand-canonical ensemble & distribution functions, compressibility equation.

Molecular theory of pure liquids. Lattice theory and local composition models. Integral equation theories I: g(r), YBG equations, BBGKY hierarchy, average energy, compressibility. Hard-Sphere fluids & extended hard sphere theories (scaled-particle theory). Corresponding states theory. Intermolecular potentials (Lennard-Jones, Square-well, Buckingham, Exp-6, Stockmayer, Yukawa). Perturbation theories (Barker-Henderson, Zwanzig). Solution thermodynamics. Significant structure theories of liquids. Cell and hole theories (lattice models). LJD theory of liquids. Formalism of thermodynamic properties for mixtures (compressibility etc.). Local composition theories of liquid mixtures. Debye-Huckel electrolyte solution theory. Configuration of chain molecules, Lattice model of polymer solution

Textbooks/references:

  1. T.L. Hill, Introduction to statistical thermodynamics, Addison-Wesley (1960)
  2. T.L. Hill, Statisical mechanics, McGraw-Hill (1956)
  3. A. McQuarrie, Statistical Mechanics, University Science Books (2000)
  4. T.M. Reed & K.E. Gubbins, Applied statistical mechanics, McGraw-Hill (1973)
  5. C.G. Gray & K.E.Gubbins, Theory of molecular fluids, vol.I. fundamentals, International series of monographs on chemistry, Clarendon Press, Oxford (1984)
  6. J.S. Rowlinson & F.L. Swinson, Liquids and Liquid Mixtures, Butterworths (1988)
  7. Attard, Thermodynamics and statistical mechanics, Academic Press, Elsevier (2002)
  8. P.J. Flory, Introduction to Polymer Chemistry, Cornell University Press (1953)