文献类型：期刊文献

中文题名：MOLECULAR THERMODYNAMIC MODEL FOR FLUIDS CONTAINING ASSOCIATED MOLECULES

英文题名：Molecular thermodynamic model for fluids containing associated molecules

作者：Liu, Honglai[1]; Zhou, Hao[1]; Hu, Ying[1]

机构：[1] East China Univ of Science and, Technology, Shanghai, China

年份：1997

卷号：5

期号：3

起止页码：208

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：CHINESE JOURNAL OF CHEMICAL ENGINEERING

收录：CSTPCD;;EI(收录号：1997483854024);Scopus;WOS:【SCI-EXPANDED(收录号:WOS:A1997XV59600003)】；CSCD:【CSCD2011_2012】；

基金：Supported by the National Natural Science Foundation of China and the Doctorate Research Foundation sponsored by the National Education Commission of China.

语种：英文

中文关键词：chemical;association;molecular;thermodynamics;equation;of;state;compressibility;factor

外文关键词：chemical association; molecular thermodynamics; equation of state; compressibility factor

摘要：With the statistical mechanical theory for square-well-chain fluids as the basic princi-ples,a molecular thermodynamic model including expressions for the Helmholtz function and thecompressibility factor for associated square-well-chain fluids has been developed.Employment ofthe shield-sticky concept enables the corporation of association bonds between in the model.Good agreement with computer-simulation results for dimer-linear quadrimer systems is obtained.Satisfactory correlation for vapor pressures and saturated liquid volumes of pure substances con-taining associated molecules(such as carboxylic acids,alcohols,amines,water,etc.)with four mo-lecular parameters indicates the applicability of the model.
With the statistical mechanical theory for square-well-chain fluids as the basic principles, a molecular thermodynamic model including expressions for the Helmholtz function and the compressibility factor for associated square-well-chain fluids has been developed. Employment of the shield-sticky concept enables the corporation of association bonds between in the model, Good agreement with computer-simulation results for dimer-linear quadrimer systems is obtained. Satisfactory correlation for vapor pressures and saturated liquid volumes of pure substances containing associated molecules(such as carboxylic acids, alcohols, amines, water, etc.) with four molecular parameters indicates the applicability of the model.