Application of an Approximate Percus–Yevick Equation for Liquid Water
- 1 June 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (11) , 5531-5541
- https://doi.org/10.1063/1.1672821
Abstract
An approximate Percus–Yevick equation for liquid water is suggested. The approximation involves the splitting of the potential of average force for two particles into a sum of a direct, angle‐dependent pair potential and an angle‐independent indirect potential. The angle‐dependent pair potential is chosen in such a way that the characteristic tetrahedral geometry for the relative orientation of two water molecules is favored. Employing this potential function in the integral equation produces a pair correlation function which carries the main features of the experimental pair correlation function for liquid water.Keywords
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