用微扰理论状态方程预测电解质水溶液的密度

对微扰理论的电解质水溶液状态方程作了进一步简化．由水的分子参数和离子直径，计算了包含强酸在内的12个单一电解质水溶液、9个二元和1个四元电解质水溶液在不同温度下的密度．对单一电解质水溶液密度关联准确度在1％之内，对混合电解质水溶液密度预测的平均相对偏差在2％左右，若阳离子直径采用由单一电解质水溶液的回归值代替Pauling直径，则能进一步改善预测准确度．

EQUATION OF STATE FOR PREDICTING DENSITYS OF AQUEOUS ELECTROLYTES BY PERTURBATION THEORY

The equation of state for aqueous electrolytes based on perturbation theory is simplified.By using the water molecule parameters and ionic diameters,the densities of 12 single aqueous electrolyte systems including strong acids,9 binary and 1 quaternary aqueous electrolyte systems at different temperatures are calculated.The correlation accuracy of densities is about 1% for single electrolyte aqueous and 2% for the prediction of densities of mixed electrolyte aqueous systems.The prediction accuracy can be improved by using the fitted cation diameter from the relevant single electrolyte systems instead of Pauling diameters.