氨基酸在水中偏摩尔体积计算  

ESTIMATION OF PARTIAL MOLAR VOLUME OF AMINO ACIDS IN WATER

作　　者：赵传钧 张常群[1] 

机构地区：[1]北京化工学院

出　　处：《计算机与应用化学》1989年第4期247-253,共7页Computers and Applied Chemistry

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1.07cm^3。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。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 1.07cm^3·mol^(-1)by the use ofthis model.This model is not only good for the estimation of V_2~∞ of alchols,aminesamides,carboxylic acids and armatic heterocyclic compounds,but also good for the predic-tion of V_2~∞ of bifunctional solutes.The calculated values are in good agreement with that ofexperiment.

关 键 词：氨基酸 偏摩尔体积 基团贡献模型 

分 类 号：TQ013.1[化学工程]