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Prediction of infinite dilution activity coefficients for systems including water based on the group contribution model with mixture-type groups II. Extension and application
Alternative TitleFluid Phase Equilib.
Zhang, SJ; Hiaki, T; Kojima, K
2002-04-30
Source PublicationFLUID PHASE EQUILIBRIA
ISSN0378-3812
Volume198Issue:1Pages:15-27
AbstractGroup contribution models such as ASOG or UNIFAC were known to be inaccurate in the prediction of infinite dilution activity coefficients (gamma(infinity)) for most of the systems containing water. To overcome the weakness inherent with the UNIFAC models, Zhang et al. (Fluid Phase Equil. 149 (1998) 27) have recently proposed a group-contribution-based model with mixture-type groups, where the mixture-type group is a hypothetical concept for taking into account the particular hydrophobic effects in aqueous organic systems. The proposed methodology has been proven to be applicable to alkane/water and alcohol/water mixtures in our previous study. In this work, the proposed method was further extended to the other classes of compounds, e.g. aromatics, ketones, acids, aldehydes, esters, ethers, nitriles and halogenated compounds. Compared to the conventional UNIFAC models, the proposed method demonstrates significant improvements in accuracy for various organic compounds in water mixtures. (C) 2002 Elsevier Science B.V. All rights reserved.; Group contribution models such as ASOG or UNIFAC were known to be inaccurate in the prediction of infinite dilution activity coefficients (gamma(infinity)) for most of the systems containing water. To overcome the weakness inherent with the UNIFAC models, Zhang et al. (Fluid Phase Equil. 149 (1998) 27) have recently proposed a group-contribution-based model with mixture-type groups, where the mixture-type group is a hypothetical concept for taking into account the particular hydrophobic effects in aqueous organic systems. The proposed methodology has been proven to be applicable to alkane/water and alcohol/water mixtures in our previous study. In this work, the proposed method was further extended to the other classes of compounds, e.g. aromatics, ketones, acids, aldehydes, esters, ethers, nitriles and halogenated compounds. Compared to the conventional UNIFAC models, the proposed method demonstrates significant improvements in accuracy for various organic compounds in water mixtures. (C) 2002 Elsevier Science B.V. All rights reserved.
KeywordActivity Coefficient Dilution Solution Water Group Contribution Model Prediction
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
URL查看原文
Indexed BySCI
Language英语
WOS KeywordNONELECTROLYTES ; EQUILIBRIA
WOS Research AreaThermodynamics ; Chemistry ; Engineering
WOS SubjectThermodynamics ; Chemistry, Physical ; Engineering, Chemical
WOS IDWOS:000175678300002
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5681
Collection研究所(批量导入)
Affiliation1.Nihon Univ, Coll Ind Technol, Dept Ind Chem, Narashino, Chiba 275, Japan
2.Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China
3.Nihon Univ, Coll Sci & Technol, Dept Ind Chem, Chiyoda Ku, Tokyo 101, Japan
Recommended Citation
GB/T 7714
Zhang, SJ,Hiaki, T,Kojima, K. Prediction of infinite dilution activity coefficients for systems including water based on the group contribution model with mixture-type groups II. Extension and application[J]. FLUID PHASE EQUILIBRIA,2002,198(1):15-27.
APA Zhang, SJ,Hiaki, T,&Kojima, K.(2002).Prediction of infinite dilution activity coefficients for systems including water based on the group contribution model with mixture-type groups II. Extension and application.FLUID PHASE EQUILIBRIA,198(1),15-27.
MLA Zhang, SJ,et al."Prediction of infinite dilution activity coefficients for systems including water based on the group contribution model with mixture-type groups II. Extension and application".FLUID PHASE EQUILIBRIA 198.1(2002):15-27.
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