离子—偶极混合物的集团展开方法研究

计算物理 ›› 1999, Vol. 16 ›› Issue (4): 351-357.

离子—偶极混合物的集团展开方法研究

卢贵武, 周开学, 储浚, 任兰亭

石油大学应用物理系, 山东东营 257062

收稿日期:1997-11-12 出版日期:1999-07-25 发布日期:1999-07-25
作者简介:卢贵武,男,讲师,硕士

Study on ion dipole mixtures by use of cluster expansion method

Lu Guiwu, Zhou Kaixue, Chu Jun, Ren Lanting

Department of Applied Physics, Petroleum University, Shandong Dongying 257062

Received:1997-11-12 Online:1999-07-25 Published:1999-07-25

摘要/Abstract

摘要： 将电解质溶液简化为带有L-J位能的离子-偶极混合物,用集团展开方法计算了溶液的位形配分函数,得到了混合物的第二维里系数和内能。对有关的计算结果进行了讨论。

关键词: 离子-偶极混合物, 电解质溶液, 内能, 维里系数, 集团展开

Abstract: Based on the interaction of all particles in solution,a mixture of ions and point dipoles as an electrolyte solution is proposed.The partition functions,Virial coefficient and internal energy are calculated by using cluster expansion method. It is found that the partition function can be expanded in cluster integrals whi ch are easily calculated without three body interaction.Related numerical resul ts have been given and discussed.

Key words: ion-dipole mixture, aqueous electrolyte solution, intern al energy, Virial coefficient, cluster expansion

中图分类号:

O414.2

卢贵武, 周开学, 储浚, 任兰亭. 离子—偶极混合物的集团展开方法研究[J]. 计算物理, 1999, 16(4): 351-357.

Lu Guiwu, Zhou Kaixue, Chu Jun, Ren Lanting. Study on ion dipole mixtures by use of cluster expansion method[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1999, 16(4): 351-357.

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