利用变阱宽方阱链流体状态方程计算1：1电解质溶液热力学性质

Calculation of thermodynamic properties for 1:1 electrolyte solutions by square-well chain fluid with variable range-based equation of state

将变阱宽方阱链流体状态方程拓展到1:1强电解质水溶液热力学性质的计算中,通过关联溶液的平均离子活度系数和溶剂的渗透系数得到了22种离子的链节直径和方阱能量参数,40余种电解质溶液的平均离子活度系数和溶剂渗透系数的总平均相对偏差分别为6.03%和5.83%。计算结果表明,建立的电解质型状态方程可以满意预测电解质溶液的密度和宽广温度下溶液的蒸气压,总体平均相对偏差分别为0.22%和4.69%。进一步说明模型参数的可靠性。

An equation of state （EOS） for square-well chain fluids with variable range was applied to calculate thermodynamic properties of 1：1 aqueous electrolyte solutions. The segment diameter and dispersive energy parameter for 22 ions were fitted by experimental data of the mean ionic activity coefficient and osmotic coefficient of more than 40 aqueous electrolyte solutions, with overall average deviations of 6.03% and 5.83%, respectively. The results showed that the EOS can satisfactorily predict the density of aqueous electrolyte solutions and vapor liquid equilibrium of aqueous electrolyte solutions in wide range of temperature with overall average deviations of 0.22% and 4.69%, respectively. The overall average deviations of the prediction proves the reliability of the model parameters.