本文在前文的分子模型基础上,提出了似化学局部组成的基团模型,可用于极性分子混合物申组分活度系数的预测。
Based onthe molecular QCLC model, a group contribution quasi-chemical local composition model is proposed, in which polar molecule is divided into several non-polar functional groups.
此程序有计算溶液活度系数和估算基团相互作用参数这两种功能。
It has two functions, i. e., calculation of solution activity coefficients and estimation of group interaction parameters.
应用推荐