Estimation of Acentric Factor of Organic Compounds with Corresponding States Group Contribution Method  

用对应态基团贡献法估算有机物偏心因子

作　　者：衣守志  贾原媛  马沛生  

机构地区：[1]Tianjin University of Science and Technology [2]Tianjin University

出　　处：《Chinese Journal of Chemical Engineering》2005年第5期709-712,共4页中国化学工程学报（英文版）

基　　金：国家自然科学基金

摘　　要：A new estimation method was proposed by combining the corresponding state principle with the group contribution method through introducing the concept of assumed-critical properties. Combining it with the Reidel equation, a new acentric factor correlation equation (CSGC-Reidel) was developed. Contribution values of 70 groups were obtained by correlating acentric factor data of 228 organic compounds of 14 type substances including saturated hydrocarbons, unsaturated hydrocarbons, cyclanes, aromatics, oxygen compounds, nitrogen compounds,halohydrocarbons, etc. The average error of acentric factor is 3.52% between the literature data and the predicated with the new estimation method.A new estimation method was proposed by combining the corresponding state principle with the group contribution method through introducing the concept of assumed-critical properties. Combining it with the Reidel equation, a new acentric factor correlation equation （CSGC-Reidel） was developed. Contribution values of 70 groups were obtained by correlating acentric factor data of 228 organic compounds of 14 type substances including saturated hydrocarbons, unsaturated hydrocarbons, cyclanes, aromatics, oxygen compounds, nitrogen compounds, halohydrocarbons, etc. The average error of acentric factor is 3.52% between the literature data and the predicated with the new estimation method.

关 键 词：acentric factor estimation of properties corresponding state group contribution （CSGC） Edmister equation Reidel equation 

分 类 号：O621[理学—有机化学]