Equilibrium properties of penetrable soft spheres

被引:1
|
作者
Kusaka, I. [1 ]
Jia, Wenhan [1 ]
机构
[1] Ohio State Univ, William G Lowrie Dept Chem & Biomol Engn, Koffolt Labs, CBEC, 151 W Woodruff Ave, Columbus, OH 43210 USA
关键词
Penetrable soft spheres; thermodynamic perturbation theory; Weeks-Chandler-Andersen separation scheme; hyper-netted-chain closure; surface tension; DENSITY-FUNCTIONAL THEORY; NONUNIFORM SYSTEM; FREE-ENERGY; FLUIDS;
D O I
10.1080/00268976.2020.1802076
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
Using the Weeks-Chandler-Andersen separation scheme, we explored equilibrium properties of fully penetrable soft spheres with an attractive tail. When the radial distribution function of the reference system is computed by means of the integral equation theory using the hyper-netted-chain closure, this separation scheme predicts pressure-density isotherms, vapour-liquid phase coexistence, and surface tension in good agreement with the results from Monte Carlo simulations even though the attractive portion of the interparticle potential has a significant effect on the radial distribution function. Despite its simplicity, the model potential we studied, with a certain parameter value, exhibits a non-monotonic temperature dependence of the liquid phase density over a wide range of pressure.
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页数:11
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