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Field Theoretic Models of Liquids

  • David Chandler
Part of the NATO ASI Series book series (NSSB, volume 193)

Abstract

As an alternative to viewing a liquid explicitly a disordered collection of particles, molecular configurations can be described in terms of single particle fields such as the density. This lecture considers this alternative perspective — how the spatial analog of harmonic oscillator models leads to integral equations (e.g., PY, RISM, ...), and how manageable non-linear treatments have led to an understanding of freezing. Nevertheless, puzzling questions remain concerning symmetry breaking and the formation of glasses.

Keywords

Density Functional Theory Pair Correlation Density Field Pair Correlation Function Liquid Crystallinity 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. Chandler, D., and Andersen, H.C., 1972, Optimized cluster expansions for classical fluids. II. Theory of Molecular Liquids, J. Chem. Phys., 57:1930.ADSCrossRefGoogle Scholar
  2. Chandler, D. and Pratt, L.R., 1976, Statistical mechanics of chemical equilibria and intramolecular structures of non-rigid molecules in condensed phases, J. Chem. Phys., 65:2925.ADSCrossRefGoogle Scholar
  3. Chandler, D., 1978, Structures of molecular liquids, Ann. Rev. Phys. Chem., 29:441.ADSCrossRefGoogle Scholar
  4. Chandler, D., 1982, Equilibrium theory of polyatomic fluids, Studies in Statistical Mechanics, VIII, ed. by E.W. Montroil, J.L. Lebowitz (North Holland, Amsterdam), p. 275.Google Scholar
  5. Chandler, D., Weeks, J.D. and Andersen, H.C., 1983, The van der Waals picture of liquids, solids and phase transformations, Science, 220:787.ADSCrossRefGoogle Scholar
  6. Chandler, D., McCoy, J.D. and Singer, S.J., 1986a, Density functional theory of nonuniform polyatomic systems. I. General formulation, J. Chem. Phys., 85:5971.ADSCrossRefGoogle Scholar
  7. Chandler, D., McCoy, J.D. and Singer, S.J., 1986b, Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations, J. Chem. Phys., 85:5977.ADSCrossRefGoogle Scholar
  8. Chiles, R.A. and Rossky, P.J., 1984, Evaluation of reaction free energy surfaces in aqueous solution: an integral equation approach, J. Am. Chem. Soc., 106:6867.CrossRefGoogle Scholar
  9. Ding, K., Chandler, D., Smithline, S.J. and Haymet, A.D.J., 1987, Density functional theory for the freezing of water, 1987, Phys. Rev. Lett. 59:1698.ADSCrossRefGoogle Scholar
  10. Faraday Disc. Chem. Soc., 1978, No. 66, “Structure and Motion in Molecular Liquids.”Google Scholar
  11. Hansen, J.P. and McDonald, I.R., 1986, “Theory of Simple Liquids, 2nd Ed.,” Academic, New York.Google Scholar
  12. Haymet, A.D.J., 1987, Freezing, Science, 236:1076.ADSGoogle Scholar
  13. Hsu, C.S., Chandler, D. and Lowden, L.J., 1976, Application of the RISM equation to diatomic fluids: The liquids nitrogen, oxygen and bromine, Chem. Phys., 14:213.CrossRefGoogle Scholar
  14. Hsu, C.S. and Chandler, D., 1978, RISM calculation of the structure of liquid acetonitrile, Mol. Phys., 36:215.ADSCrossRefGoogle Scholar
  15. Landanyi, B.M. and Chandler, D., 1975, New type of cluster theory for molecular fluids: interaction site cluster expansion, J. Chem. Phys., 62:4308.ADSCrossRefGoogle Scholar
  16. Lebowitz, J.L. and Percus, J.K., 1963, Statistical thermodynamics of nonuniform fluids; Asymptotic behavior of the radial distribution function, J. Math. Phys., 4:116, 248.MathSciNetADSCrossRefGoogle Scholar
  17. Lowden, L.J. and Chandler, D., 1974, Theory of intermolecular pair correlations for molecular liquids. Applications to the liquids carbon tetrachloride, carbon disulfide, carbon diselenide and benzene, J. Chem. Phys., 61:5228.ADSCrossRefGoogle Scholar
  18. Morita, T. and Hiroike, K., 1961, A new approach to the theory of classical fluids. III. General treatment of classical systems, Progr. Theor. Phys., 25:537.MathSciNetADSCrossRefGoogle Scholar
  19. Pettitt, B.M. and Rossky, P.J., 1982, Integral equation predictions of liquid state structure for waterlike intermolecular potentials, J. Chem. Phys., 77:1451.ADSCrossRefGoogle Scholar
  20. Pettitt, B.M. and Rossky, P.J., 1986, Alkali halides in water: ion- solvent correlations and ion-ion potentials of mean force at infinite dilution, J. Chem. Phys., 84:5836.ADSCrossRefGoogle Scholar
  21. Pratt, L.R. and Chandler, D., 1977, Interaction site cluster series for the Helmholz free energy and variational principle for chemical equilibria and intramolecular structures, J. Chem. Phys., 66:147.ADSCrossRefGoogle Scholar
  22. Ramakrishnan, T.V. and Yussouff, M., 1979, First-principles of order- parameter theory of freezing, Phys. Rev. B., 19:2775.ADSCrossRefGoogle Scholar
  23. Rossky, P.J., 1985, The structure of polar molecular liquids, Ann. Rev. Phys. Chem., 36:321.ADSCrossRefGoogle Scholar
  24. Stillinger, F.H. and Buff, F.P., 1962, Equilibrium statistical mechanics of inhomogeneous fluids, J. Chem. Phys., 37:1.ADSCrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1988

Authors and Affiliations

  • David Chandler
    • 1
  1. 1.Department of ChemistryUniversity of CaliforniaBerkeleyUSA

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