有机电解质活度系数的MSA计算

The Calculation of Activitv Coefficients for Organic Electrolytes According to Mean Spherical Approximation.

该文应用ＭＳＡ模型理论，并考虑溶质－溶剂相互作用的贡献，对一系列浓度的有机电解质（ＭＡｃ，Ｍ＝Ｌｉ，Ｎａ，Ｋ，Ｒｂ，Ｃｓ；ＲＣＯＯＮａ，Ｒ＝Ｈ，ＣＨ＿３，Ｃ＿２Ｈ＿５，Ｃ＿３Ｈ＿７，Ｃ＿４Ｈ＿９，Ｃ＿５Ｈ＿（１１））在水溶液中的活度系数进行了理论计算，计算结果与文献实验值吻合较好。最后还对各相互作用项的贡献及模型的适用性进行了讨论。

Using the mean spherical approximation(MSA),accompanied by the consideration of solute-solvent interactions,this work is a theoretical calculation of activitv coefficient for several organic electrolytes(i.e.MAC,M=Li,Na,K,Rb,Cs;RCOONa,R=H,CH3,C2H5,C3H7,C4H9,C5H11)in 0.0-2.0 mole per kg-solvent range,The results are in good accordance with those from literature.A short discussion about the contributions from each interaction item and the applicability of the theory is given.