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The bridge function of a Lennard-Jones fluid calculated from a second-order Percus-Yevick equation
被引:22
作者:
Henderson, D
Sokolowski, S
机构:
[1] MARIE CURIE SKLODOWSKA UNIV,FAC CHEM,COMP LAB,PL-20031 LUBLIN,POLAND
[2] UNIV AUTONOMA METROPOLITANA IZTAPALAPA,DEPT FIS,MEXICO CITY 09340,DF,MEXICO
关键词:
D O I:
10.1063/1.471118
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:
Following Attard, we obtain a second-order Percus-Yevick equation from the theory of inhomogeneous fluids. Although we calculate the radial distribution function and thermodynamic functions, our main interest is in the calculation of the bridge function, a part of the radial distribution function either not included or simply approximated in the usual theories. A comparison is made with simulation results for the bridge function, correlation functions, and thermodynamic functions for the Lennard-Jones fluid with good results. A comparison is also made with recent binodal chain approximation results. (C) 1996 American Institute of Physics.
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页码:2971 / 2975
页数:5
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