含缔合组分二元混合物超额焓计算

Calculation of Excess Enthalpies of the Binary Mixtures Contained Association Component

基于缔合溶液理论和正规溶液理论,作者提出了简化缔合模型(SAM)。用SAM计算包括醇-烃、醇-酮和醇-醇等在内的各类含缔合组分的61个二元混合物的超额焓,平均均方根偏差和百分误差分别为21.4J/mol和2.12％。

Based on association solution theory and regular solution theory, simplified associ(?)tion model (SAM) has been developed. By using SAM, the calculation of excess enthalpies of 61 binary mixt ires contained association component was realized. The average root mean square deviation and average (?)ercentage error are 21.4 J / mol and 2.12%, respectively.