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Reorganized Properties of Solvent in the Low Density Solution
Chu Jun,Xu Xianfeng
Author NameAffiliationE-mail
Chu Jun Department of Applied Physics, Petroleum University Shandong, Dongying 257062 apphy@hdpu.edu.cn 
Xu Xianfeng Department of Applied Physics, Petroleum University Shandong, Dongying 257062  
Abstract:
The microstructure of solution is analyzed using statistical thermodynamics. The result shows that a single solute molecule may cause the rearrangement of solvent molecules around the solute. The interaction between two solute molecules will lead to rearrangement of solvent molecules when the concentration of the solution is large enough. To describe the reorganization properties of finite concentration solution, the new concepts of second order reorganization energy and reorganization entropy, which can describe macroscopically the reorganization properties due to interaction between two solute molecules are proposed. Formulas of first and second order reorganization energy and reorganization entropy are obtained by using cluster expansion method. Relation be tween radial distribution function of a pair of solvent molecules and chemical potential of solute and solvent is de rived. The macroscopic criterion for determining infinite dilution is obtained by use of the relation. The theory of this paper can be used in the case of low density.
Key words:  Reorganization of solvent, Reorganization energy, Reorganization entropy, Cluster expansion
FundProject:
低密度溶液中溶剂的重组织性质
储浚*,徐先锋
摘要:
分析了溶液的微观结构,结果表明,单个溶质粒子影响其周围的溶剂的结构,溶质粒子间的相互作用也将影响溶剂的结构,溶质对溶剂结构的影响称作溶剂的重组织.提出了二阶重组织能及二阶重组织熵等概念,可以描述在两个溶质粒子发生碰撞时对其周围溶剂结构的影响.利用二元系的集团展开理论,给出了溶剂的一阶、二阶重组织能和重组织熵的表达式.统计热力学分析给出了溶剂-溶剂径向分布函数与溶质和溶剂化学势之间的关系,给出了无限稀溶液模型是否成立的宏观判据.提出的理论可用于低密度的二元溶液.
关键词:  溶剂的重组织  重组织能  重组织熵  集团展开
DOI:10.1088/1674-0068/15/2/106-110
分类号: