Skip to main content
SpringerLink
Log in

On perturbation expansions for associated fluids

  • Published:
Czechoslovak Journal of Physics Aims and scope

Abstract

A feasibility study of applicability of a perturbation expansion for evaluating properties of highly associated fluids is undertaken. It is shown that the long-range electrostatic forces can be considered as a mild perturbation only, provided that the reference potential includes the hydrogen bonding interaction. Perturbed Monte Carlo simulations on two different shortrange reference systems defined for the realistic ST2 water potential show that the structures of the ST2 water and appropriately chosen reference fluids are practically identical and that the expansion of the Helmholtz free energy converges.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Reimers J. R., Watts R. O., Klein M. L.: Chem. Phys.64 (1982) 95.

    Google Scholar 

  2. Jorgensen W. L., Chandrasekhar J., Madura J. D.: J. Chem. Phys.79 (1983) 926.

    Google Scholar 

  3. Hansen J. P., McDonald I. R.: Theory of Simple Liquids. Academic Press, London, 1976.

    Google Scholar 

  4. Grey C. G., Gubbins K. E.: Theory of Molecular Fluids. Clarendon Press, Oxford, 1984.

    Google Scholar 

  5. Stillinger F. H.: Adv. Chem. Phys.31 (1975) 1.

    Google Scholar 

  6. Kolafa J., Nezbeda I.: Mol. Phys.66 (1989) 87.

    Google Scholar 

  7. Dahl L. W., Andersen H. C.: J. Chem. Phys.78 (1983) 1962.

    Google Scholar 

  8. Wertheim M. S.: J. Stat. Phys.42 (1986) 459;42 (1986) 477.

    Google Scholar 

  9. Dahl L. W., Andersen H. C.: J. Chem. Phys.78 (1983) 1980.

    Google Scholar 

  10. Wertheim M. S.: J. Chem. Phys.85 (1986) 2929.

    Google Scholar 

  11. Nezbeda I., Kolafa J., Kalyuzhnyi Yu.: Mol. Phys.68 (1989) 143.

    Google Scholar 

  12. Kolafa J., Nezbeda I.: Mol. Phys.61 (1987) 161.

    Google Scholar 

  13. Bol W.: Mol. Phys.45 (1982) 605.

    Google Scholar 

  14. Bratko D., Blum L., Luzar A.: J. Chem. Phys.83 (1985) 6367.

    Google Scholar 

  15. Hirata L.: Bull. Chem. Soc. Japan50 (1977), 1032.

    Google Scholar 

  16. Andersen H. C., Chandler D.: J. Chem. Phys.57 (1972) 1918.

    Google Scholar 

  17. Conroy H.: J. Chem. Phys.47 (1967) 5307.

    Google Scholar 

  18. Nezbeda I., Kolafa J., Labík S.: Czech. J. Phys. B39 (1989) 65.

    Google Scholar 

  19. Chandler D.: Introduction to Statistical Mechanics. Academic Press, New York, 1986.

    Google Scholar 

  20. Straatsma T. P., Berendsen H. J. C., Stam A. J.: Mol. Phys.57 (1986) 89.

    Google Scholar 

  21. Mezei M., Swaminathan S., Beveridge D. L.: J. Chem. Phys.71 (1979) 3366.

    Google Scholar 

  22. Stillinger F. H., Rahman A.: J. Chem. Phys60 (1974) 1545

    Google Scholar 

  23. Rao M., Pangali C., Berne C. J.: Mol. Phys.37 (1979) 1773.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Chemical Process Fundamentals, Czechosl. Acad. Sci., Suchdol, 165 02, Praha 6, Czechoslovakia

    I. Nezbeda & J. Kolafa

Authors
  1. I. Nezbeda
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. J. Kolafa
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Nezbeda, I., Kolafa, J. On perturbation expansions for associated fluids. Czech J Phys 40, 138–150 (1990). https://doi.org/10.1007/BF01597727

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01597727

Keywords

Search

Navigation