Prediction of infinite dilution activity coefficients for systems including water based on the group contribution model with mixture-type groups II. Extension and application
文献类型：期刊论文
| 作者 | Zhang, SJ; Hiaki, T; Kojima, K |
| 刊名 | FLUID PHASE EQUILIBRIA
 |
| 出版日期 | 2002-04-30 |
| 卷号 | 198期号:1页码:15-27 |
| 关键词 | activity coefficient dilution solution water group contribution model prediction |
| ISSN号 | 0378-3812 |
| 其他题名 | Fluid Phase Equilib. |
| 中文摘要 | 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. |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Thermodynamics ; Chemistry, Physical ; Engineering, Chemical |
| 研究领域[WOS] | Thermodynamics ; Chemistry ; Engineering |
| 关键词[WOS] | NONELECTROLYTES ; EQUILIBRIA |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000175678300002 |
| 公开日期 | 2013-11-12 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5681]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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