Domain Structure of Liguid Water According to the Theory of Intermolecular Forces

  • Published : 1972.06.30

Abstract

In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

Keywords

References

  1. J. Chem. Phys. v.1 J.D. Bernal;R.H. Fowler
  2. Adv. Phys. v.7 P.G. Owston
  3. Proc. Roy. Soc. v.A125 W.H. Barnes
  4. Proc. Roy. Soc. v.A174 J.J. Fox;A.E. Martin
  5. J. Chem. Phys. v.24 W.S. Benedict;N. Gailer;E.K. Phyler
  6. Proc. Roy. Soc. (London) v.A205 J. A. Pople
  7. Hydrogen Bonding L. Pauling;L. Hadzi(ed.)
  8. Discussions Faraday Soc. v.24 H. S. Frank;W. Y. Wen
  9. J. Chem. Phys. v.36 G. Nemethy;H. Scheraga
  10. J. Chem. Phys. v.41 G. Nemethy;H. Scheraga
  11. J. Chem. Phys. v.44 M. S. Jhon;J. Grosh;T. Ree;H. Eyring
  12. Significant Liquid Structures H. Eyring;M. S. Jhon
  13. J. Chem. Phys. v.23 E.R. Lippincott;R. Schroeder
  14. J. Chem. Phys. v.51 P. A. Kollmann;L. C. Allen
  15. J. Chem. Phys. v.53 D. Hankins;J.W. Moskowitz
  16. J. Russ. Phys. Chem. v.40 A. S. Kats
  17. J. Chem. Soc. J. H. Van der Waals;J. E. Platteuw
  18. Molecular Theory of Gases and Liquids J. O. Hirshfelder;C. F. Curtiss;R. V. Bird