Entropy and Molecular Correlation Functions in Open Systems. II Two- and Three-Body Correlations
- 1 September 1971
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (5), 2250-2255
- https://doi.org/10.1063/1.1676400
Abstract
We consider the contributions from the correlation of pairs and triples of molecules to the configurational entropy per molecule of a simple fluid system. Using numerical values of the pair function and only certain moments of the triplet function, we have computed the first few terms in an expression for the entropy in terms of the correlation functions. The results, which compare favorably with experimental values over a range of densities including that of the liquid, indicate that contributions from the correlations of triples of molecules can be appreciable. The computations are done for a fluid of hard spheres and liquid neon and the results are discussed in terms of the molecular correlations in a simple fluid.Keywords
This publication has 9 references indexed in Scilit:
- Entropy and Molecular Correlation Functions in Open Systems. I. DerivationThe Journal of Chemical Physics, 1971
- Three-Body Correlations in Simple Dense FluidsThe Journal of Chemical Physics, 1970
- Numerical Solutions of the Percus–Yevick Equation for the Lennard-Jones (6–12) and Hard-Sphere PotentialsThe Journal of Chemical Physics, 1970
- Structure and Resistivity of Liquid MetalsPhysical Review B, 1966
- Equation of State for Hard SpheresThe Journal of Chemical Physics, 1963
- Exact Solution of the Percus-Yevick Integral Equation for Hard SpheresPhysical Review Letters, 1963
- Studies in Molecular Dynamics. II. Behavior of a Small Number of Elastic SpheresThe Journal of Chemical Physics, 1960
- Contribution to Statistical MechanicsThe Journal of Chemical Physics, 1942
- Statistical Mechanics of Fluid MixturesThe Journal of Chemical Physics, 1935