化工学报2001，Vol.52Issue(2)：146-152,7.
估算纯物质临界温度的新方法
NEW METHOD FOR ESTIMATING CRITICAL TEMPERATURE OF PURE COMPOUNDS
摘要
Abstract
The critical temperature(Tc)is a key parameter for prediction ofthermodynamic and transport properties by the principle of corresponding states.However,reliable experimental measurements of Tc are restricted to stable substances.As a result,numerous estimation methods have become popular for calculation of Tc.Among various methods for extimating Tc,the group-contribution approach has been widely used.However most methods meed Tb of the compounds,and it is difficult to measure Tb of unstable substances. In this paper,an estimating method using the d204 for critical properties in group-contribution method was presented and assessed.For correcting the influence of adjacent group and differentiating isomers,the new methods including first-level group-contribution method and second-level group-contribution method are proposed.70 first level groups and 34 second level groups were divided,and the contribution parameters of the groups for Tc were obtained by correlating the experimental critical temperature of 325 substances,which are divided into 12 types. The average correlation error of GR1 method and GR2 method for Tc is 2.950% and 1.937%，respectively.If the experimental Tb is not available,the new method can be used to give satisfactory estimation. The Tc of 31 compounds were predicted using the new method and Constantinou-Gani method,respectively,and the results show that the new method demonstrates singnificant improvements in accuracy.关键词
基团贡献法/临界温度/估算分类
化学化工引用本文复制引用
梁英华,芮玉兰,马沛生..估算纯物质临界温度的新方法[J].化工学报,2001,52(2):146-152,7.基金项目
天津市自然科学基金资助项目(No.973602911). （No.973602911）
