电解质溶液的粘性电解质模型及其应用

SEM Model for Electrolyte Solution and its Application

在平均球近似（ＭＳＡ）理论的基础上引入离子缔合项和短程作用力项，建立了粘性电解质模型（ＳＥＭ）。离子间导入粘性屏蔽作用，阴离子取Ｐａｕｌｉｎｇ晶体直径，阳离子直径和能量参数由参数估计求得。对１６种碱金属卤化物水溶液的活度系数进行模拟计算，与实验数据比较，误差普遍小于３％，满足工程设计的需要。

The association term and short distance term were introduced into the sticky electrolyte model (SEM), which is based on the mean sphere approximate (MSA) theory. The diameter of anion was adopted Pauling crystal diameter, the diameter of cation and energy adjustable parameter were fitting values. The model was used to fit activity coefficients of selected aqueous alkali halide solution systems. Using this model, the calculated results agreed with the experiment values well. The greatest relative deviation of the most selected systems were less than 3%. The accuracy satisfies the requirement of industry design.