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.
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.
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