摘要
采用eMIVM模型和eMIVM-ET模型分别对含Mg^(2+)、Ca^(2+)、Sr^(2+)和Ba^(2+)的单电解质溶液的平均活度系数和渗透系数进行拟合,对三元电解质溶液的平均活度系数和渗透系数进行预测。计算结果表明,在拟合单电解质溶液时,eMIVM-ET模型拟合效果更接近于实验值,平均活度系数的偏差和相对误差为0.100 6和3.51%,渗透系数的偏差和相对误差为0.011 8和1.02%,在预测三元电解质溶液的平均活度系数时,eMIVM-ET模型的预测效果更好,相对误差比eMIVM模型低4.54%,预测渗透系数时eMIVM模型的预测结果更接近真实值,相对误差为17.38%,为电解质溶液的热力学计算提供了数据参考同时提供了可靠的模型。
The eMIVM and eMIVM-ET models were employed to fit the mean activity coefficients and osmotic coefficients of single electrolyte solutions containing Mg^(2+),Ca^(2+),Sr^(2+),and Ba^(2+)ions,and to predict the mean activity coefficients and osmotic coefficients of ternary electrolyte solutions.The computational results indicate that,when fitting single electrolyte solutions,the eMIVM-ET model achieved better agreement with experimental values,with deviations and relative errors of 0.1006 and 3.51%for the mean activity coefficients,and 0.0118 and 1.02%for the osmotic coefficients,respectively.In predicting the mean activity coefficients of ternary electrolyte solutions,the eMIVM-ET model exhibits superior performance,with a relative error of 4.54%lower than that of the eMIVM model.However,for predicting osmotic coefficients,the eMIVM model produces results closer to the experimental values,with a relative error of 17.38%.Both reference data and reliable models were provided for thermodynamic calculations of electrolyte solutions.
作者
何天琪
武妍杉
陶东平
HE Tianqi;WU Yanshan;TAO Dongping(School of Metallurgical and Energy Engineering,Kunming University of Science and Technology,Kunming 650093,China)
出处
《有色金属(中英文)》
北大核心
2025年第8期1330-1342,共13页
Nonferrous Metals
基金
国家自然科学基金资助项目(51464022)。
关键词
预测
活度系数
碱土金属离子
电解质溶液
prediction
activity coefficient
alkaline earth metal ion
electrolyte solution
