阳离子标准熵、 水合焓与配分函数的相关性

阳离子标准熵、水合焓与配分函数的相关性

冯长君, 王超

徐州师范大学化学系，徐州 221116

收稿日期:2003-01-27 修回日期:1900-01-01 出版日期:2003-10-26 发布日期:2003-10-26
通讯作者: 冯长君

Studies on the Correlativities of Partition Function with Standard Entropy and Hydrated Enthalpy of Cations

FENG Chang-Jun, WANG Chao

Department of Chemistry, Xuzhou Normal University, Xuzhou 221116, China

Received:2003-01-27 Revised:1900-01-01 Online:2003-10-26 Published:2003-10-26
Contact: FENG Chang-Jun

摘要/Abstract

摘要： 根据独立共同可别粒子体系的熵与配分函数关系，建立70种固体化合物中阳离子标准熵［Ｓ⁰_m／(J·mol^-1·K^-1)］与其相对原子质量(A_r,i)、电子层数（n_i）的数学模型：Ｓ⁰_m=-0.51＋3.59·(1.5ln A_r,i)^1.4-0.31 (ln n_i)², R=0.9996. 对于独立共同不可别粒子体系的焓与配分函数的关系，建立51种金属离子水合热［Δ_hH_m／（kJ·mol^-1）］与其基态能量(ε_i)的回归方程为： -Δ_hH_m =46.93＋525.49ε_i , R=0.9920. 以上模型的计算值与实验值都基本吻合.

关键词: 统计热力学, 配分函数, 阳离子, 标准熵, 水合焓

Abstract: Based on the relationship between partition function and entropy in s tatistical thermodynamics for a distinguishable particle system, the atomic weig ht (A_r,i) and electronic shell number(n_i) of ground state atom i has an excellent correlativity with the standard entropies ［Ｓ^{0_m／(J·mol^-1·K^-1)］ of 70 cations in solid c ompounds: S⁰_m=-0.51＋3.59·(1.5ln A_r,i)_{1 .4}-0.31(ln n_i)², R=0.9996. Based on the relationship between enthalpy and partition function for an indistinguishable parti cle system, the linear regression equation between ground state energies (ε_i) and hydrated enthalpies［-Δ_hH_m/(kJ·mol^-1)］ of 51 metal ions is drawn up: -Δ_hH_m=46.93＋525. 49ε_i, R=0.9920. The calculated values of Ｓ⁰_m ， Δ_hH_m basically tally with the experiment values.}

Key words: statistical thermodynamics, partition function, cation, standard en tropy, hydrated enthalpy

中图分类号:

O642

冯长君, 王超. 阳离子标准熵、水合焓与配分函数的相关性[J]. J4, 2003, 41(04): 543-547.

FENG Chang-Jun, WANG Chao. Studies on the Correlativities of Partition Function with Standard Entropy and Hydrated Enthalpy of Cations[J]. J4, 2003, 41(04): 543-547.

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