阳离子标准熵、 水合焓与配分函数的相关性

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.

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

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.}