Weighted-density approximation for general nonuniform fluid mixtures

被引:29
|
作者
Davidchack, RL
Laird, BB [1 ]
机构
[1] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA
[2] Univ Kansas, Kansas Inst Theoret & Computat Sci, Lawrence, KS 66045 USA
来源
PHYSICAL REVIEW E | 1999年 / 60卷 / 03期
关键词
D O I
10.1103/PhysRevE.60.3417
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
In order to construct a general density-functional theory for nonuniform fluid mixtures, we propose an extension to multicomponent systems of the weighted-density approximation of Curtin and Ashcroft [Phys. Rev. A 32, 2909 (1985)]. This extension corrects a deficiency in a similar extension proposed earlier by Denton and Ashcroft [Phys. Rev. A 42, 7312 (1990)], in that that functional cannot be applied to the multicomponent nonuniform fluid systems with spatially varying composition, such as solid-fluid interfaces. As a test of the accuracy of our functional, we apply it to the calculation of the freezing phase diagram of a binary hard-sphere fluid, and compare the results to simulation and the Denton-Ashcroft extension. [S1063-651X(99)03509-6].
引用
收藏
页码:3417 / 3420
页数:4
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