FREE-ENERGY MODEL FOR THE INHOMOGENEOUS HARD-SPHERE FLUID - CLOSURE RELATION BETWEEN GENERATING FUNCTIONALS FOR DIRECT AND CAVITY DISTRIBUTION-FUNCTIONS

被引:51
作者
ROSENFELD, Y
机构
[1] James Franck Institute, University of Chicago, Chicago
[2] Nuclear Research Center-Negev, Beer-Sheva
关键词
D O I
10.1063/1.458712
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A free-energy model for the inhomogeneous hard sphere fluid mixture was derived recently [Phys. Rev. Lett. 63, 980 (1989)] which is based on the fundamental geometric measures of the particles. It features convolution forms for the direct correlation functions as obtained by functional differentiation from the free energy. General features of the model are further explicated in this paper. In particular, fused-spheres overlap forms for the cavity distribution functions are obtained by recursive application of the model to the free energy of composite particles. It is shown how the scaled-particle theory provides an explicit "closure" relation between these two alternative description of the correlations. © 1990 American Institute of Physics.
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页码:4305 / 4311
页数:7
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