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Virial Expansion Theory for Thermodynamics for Solvation
Chu Jun,Xu Xianfeng
Author NameAffiliationE-mail
Chu Jun Department of PhysicsPetroleum University of ChinaDongying 257061 appphy@hdpu.edu.Cn 
Xu Xianfeng Department of PhysicsPetroleum University of ChinaDongying 257061  
Abstract:
A theory for solvation thermodynamics of binary solution is developed by Virial expansion method. The excess energy of binary solution is divided into three interactive terms of solvent - solvent solvent - solute and solute - solute. Using the approach of Virial expansion the partial function of canonical ensemble for a binary solution is expressed. The expression of partial molar energy and entropy of solute are obtained by this expression. Under the condition of infinite dilution,the solvent - solvent term of the excess partial molar energy can also be called as reorganization energy. It shows that the presentation of solute affects interactive energy of solvent molecules around solute molecules. The study in this paper shows that when the molar fraction of solute particles is relatively higher,the interaction among solute molecules would affect the solvent - solvent term of excess partial molar energy. For diluted solution,the solvent - solvent term of excess partial molar energy is linear to the molar fraction of solute. For binary solution with low density,the excess partial molar energy and excess partial molar entropy of solute is also linear to the density of particles.
Key words:  Virial expansion,Excess partial molar energy,Excess partial molar entropy,Reorganization energy
FundProject:
溶剂化的热力学集团展开理论
储浚*,徐先锋
摘要:
把二元溶液的过剩内能(excessenergy)分成溶剂-溶剂、溶剂-溶质及溶质-溶质相互作用部分。利用集团展开方法给出了二元溶液在正则系综的配分函数的表达式,利用该表达式得到了溶质的偏摩尔内能(partialmolarenergy)和偏摩尔熵(partialmolarentropy)的表达式。在无限稀溶液情形,过剩偏摩尔内能的溶剂-溶剂部分又称重组织内能(reorganizationenergy),它反映了溶质存在时对其周围溶剂分子之间的相互作用能的影响。研究表明,在溶质的粒子数密度相对较大时,溶质分子
关键词:  集团展开  过剩偏摩尔内能  过剩偏摩尔熵  重组织内能
DOI:1003-7713/2000/06-0747-07
分类号: