【摘要】 建立计算无限稀偏摩尔体积的基团贡献模型。用此模型计算55种氨基酸在水中25℃无限稀偏摩尔体积,计算结果的绝对平均偏差等于1.07cm³。mol^-1。用此模型同时能进行醇、胺、酰胺、羧酸和芳香杂环化合物₂^∞的计算,以及多种双官能团溶质₂^∞的预测。计算值和实验值符合很好。更多还原

【Abstract】 A group contribution model for calculation of partial molar volumes of organic solutesin dilute aqueous solution has been established.The average error of estimation for 55kinds of amino acids in dilute aqueous solution at 25℃ is 1.07cm³·mol^-1by the use ofthis model.This model is not only good for the estimation of V₂^∞ of alchols,aminesamides,carboxylic acids and armatic heterocyclic compounds,but also good for the predic-tion of V₂^∞ of bifunctional solutes.The calculated values are in good agreement with that ofexperiment.更多还原