含Cu^(2+)电解质溶液活度系数预测  

Prediction of Activity Coefficient of Electrolyte Solution Containing Cu^(2+)

作　　者：郑世杰 徐晨晨 陶东平[1] ZHENG Shijie;XU Chenchen;TAO Dongping(Faculty of Metallurgical and Energy Engineering,Kunming University of Science and Technology,Kunming 650093,China)

机构地区：[1]昆明理工大学冶金与能源工程学院,昆明650093

出　　处：《有色金属工程》2023年第2期59-68,共10页Nonferrous Metals Engineering

基　　金：国家自然科学基金资助项目(51464022)。

摘　　要：采用电解质分子相互作用体积模型eMIVM(Electrolyte Molecular Interaction Volume Model)与它的能量项eMIVM-ET(Energy term of eMIVM)分别对含Cu^(2+)的20个单电解质溶液的活度系数进行拟合,并对含Cu^(2+)的5个两电解质溶液的所有组分活度系数进行预测。结果表明:两个模型对含Cu^(2+)单电解质溶液活度系数的拟合效果均较好,eMIVM模型预测的拟合平均偏差和平均相对误差分别为0.0598和6.4%,eMIVM-ET模型预测的分别为0.0163和3.0%;对含Cu^(2+)的两电解质溶液的所有组分活度系数预测时,eMIVM-ET模型的预测效果要比eMIVM模型的好,eMIVM-ET模型预测时的平均偏差和平均相对误差分别为0.0844和18.2%;在含Cu^(2+)电解质溶液的热力学计算中,与eMIVM模型相比,eMIVM-ET模型更适合作为一个可供选择的预测模型。The electrolyte molecular interaction volume model(eMIVM)and its energy term of eMIVM-ET(energy term of eMIVM)were used to fit the activity coefficients of 20 single electrolyte solutions containing Cu^(2+),and the activity coefficients of all components of 5 two electrolyte solutions containing Cu^(2+)were predicted.The results showed that the fitting effects of the two models on the activity coefficient of single electrolyte solution containing Cu^(2+)were optimal.The average deviation and average relative error of the eMIVM model were 0.0598 and 6.4%,respectively,and those of the eMIVM-ET model were 0.0163 and 3.0%,respectively.When predicting the activity coefficients of all components of two electrolyte solutions containing Cu^(2+),the prediction effect of eMIVM-ET is better than that of eMIVM.The average deviation and average relative error of eMIVM-ET model are 0.0844 and 18.2%,respectively.In the thermodynamic calculation of electrolyte solution containing Cu^(2+),eMIVM-ET is more suitable as an alternative prediction model than eMIVM.

关 键 词：含Cu^(2+)电解质溶液 活度系数预测 eMIVM-ET eMIVM 

分 类 号：O645.16[理学—物理化学]