A MODIFIED SUPERPOSITION APPROXIMATION TO THE 3-BODY DISTRIBUTION FUNCTION

被引:14
作者
HERNANDO, JA
GAMBA, Z
机构
[1] Departamento de Física, Comisión Nacional de Energía Atómica, 1429 Buenos Aires
关键词
D O I
10.1063/1.463811
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
Based on quite general arguments we propose a simple modification to the Kirkwood superposition approximation. It consists in the replacement of g2(r) by alpha(r)g2[alpha(r)r] with alpha(r) = 1 + gamma/r. This modification is tested against numerical simulations of a Lennard-Jones fluid, and good results are obtained. The gamma value seems to be quite independent of the thermodynamic parameters of the system and of the precise functional form of a. Based on short-range universality arguments, we propose gamma = 0.07 for all simple fluids.
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页码:5142 / 5147
页数:6
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