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Partial Coordination Numbers and Flory-Huggins Equation of Binary Hard Sphere Systems with Unequal Hard Sphere Diameters

 

作者: H. Ruppersbergfb,  

 

期刊: Physics and Chemistry of Liquids  (Taylor Available online 1988)
卷期: Volume 18, issue 1  

页码: 1-9

 

ISSN:0031-9104

 

年代: 1988

 

DOI:10.1080/00319108808078572

 

出版商: Taylor & Francis Group

 

关键词: Partial coordination numbers;Flory-Huggins equation;interchange energy.

 

数据来源: Taylor

 

摘要:

Partial radial distribution functions of binary hard sphere systems with strong size difference between the constituting atoms are calculated starting from the Percus-Yevick equation. Partial coordination numbers of nearest neighbours are defined. Empirical relations are found which give partial coordination numbers of an accuracy better than 1 % as a function of packing fraction (0.2 ±n ±0.5), size difference([sgrave]2/[sgrave]1±1.44) and composition. Introduction of pairwise interactions between nearest neighbours yields for the enthalpy of mixing approximately the same composition dependence as given by the Flory-Huggins equation, and explains why the numerical value of the “interchange energy” depends on the choice of indexing the constituents.

 

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