用基团贡献法估算烃类的沸点和熔点  

Estimation of Boiling and Melting Points of Hydrocarbons with Group Contribution Method

作　　者：许文[1] 张建侯[1] 

机构地区：[1]天津大学化工系

出　　处：《化学工业与工程》1989年第1期1-5,共5页Chemical Industry and Engineering

摘　　要：本文提出了烃类沸点和熔点的基团贡献法估算公式,探讨了烃类基团的划分和烯烃顺反式结构的校正,拟合得出37个烃类基团的贡献值.沸点和熔点估算的平均百分相对偏差分别为1.11和10.55,明显优于目前文献推荐的loback 法.In this paper correlations for estimating boiling and melting points of hydrocarbons by g(?) cont ibution method are proposed.Selection and compilation of strvctural groups taking into account the factor of cis-trans isomerism have been performed.The numerical values of 37 group contributions of hydrocarbons are presented.The average percent deviations of estimation for boiling and melting points are 1.11 and 10.55 respectively which show higher accuracy of the present method than that of the Joback method recommended in current literature.

关 键 词：基团贡献法 相对偏差 顺反 贡献值 几何异构体 估算公式 置信水平 烃类物质 层次划分 碳原子 

分 类 号：TQ[化学工程] TQ02