用对应态基团贡献法估算有机物偏心因子

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用对应态基团贡献法估算有机物偏心因子

衣守志^a;贾原媛^a;马沛生^b

^a Material Science and Chemical Engineering School, Tianjin University of Science and Technology, Tianjin 300222,China
^b School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China

收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:2005-10-28 发布日期:2005-10-28
通讯作者: 衣守志

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

YIShouzhi^a;JIAYuanyuan^a; MAPeisheng^b

^a Material Science and Chemical Engineering School, Tianjin University of Science and Technology, Tianjin 300222,China
^b School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China

Received:1900-01-01 Revised:1900-01-01 Online:2005-10-28 Published:2005-10-28
Contact: YI Shouzhi

摘要/Abstract

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.

关键词: 对应态基团贡献法;估算方法;性质测定;有机物;偏心因子

Abstract: 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.

Key words: acentric factor, estimation of properties, corresponding state group contribution （CSGC）, Edmister equation, Reidel equation

衣守志,贾原媛,马沛生. 用对应态基团贡献法估算有机物偏心因子 [J]. CIESC Journal.

YIShouzhi,JIAYuanyuan, MAPeisheng. Estimation of Acentric Factor of Organic Compounds with Corresponding States Group Contribution Method[J]. .

用对应态基团贡献法估算有机物偏心因子

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

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