Isostructural solid-solid transitions in binary asymmetrical hard sphere system: Based on solvent-mediated potential

被引:16
作者
Zhou, SQ [1 ]
机构
[1] Zhuzhou Inst Technol, Res Inst Modern Stat Mech, Zhuzhou City 412008, Peoples R China
基金
中国国家自然科学基金;
关键词
binary hard sphere mixture; potential of mean force; density functional theory;
D O I
10.1016/j.jcis.2005.02.070
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
Size dependence is imparted onto a modified bridge functional, adopted for a recently proposed semi-analytical hard sphere reference system theory for calculation of solvent-mediated potential (SMP). The SMP for two large hard sphere particles immersed in a small hard sphere solvent bath predicted by the present improved version is in satisfactory agreement with the prediction from a theoretically based fitting formula. Isostructural solid-solid transitions in the binary asymmetrical hard sphere system are investigated based on a single-component macrofluid approximation combined with the improved version. It is found that the isostructural solid-solid transition appears when size asymmetry increases. The limiting asymmetry size ratio is near 1/8. As the size asymmetry increases, critical density for both large and small hard sphere components for the fee isostructural solid-solid transition increases and decreases, respectively. (c) 2005 Elsevier Inc. All rights reserved.
引用
收藏
页码:308 / 312
页数:5
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