Prediction of infinite dilution activity coefficients of organic compounds in ionic liquids using COSMO-RS

被引：203

作者：

Diedenhofen, M ^{[1
]}

Eckert, F ^{[1
]}

Klamt, A ^{[1
]}

机构：

[1] COSMOlog GmbH & Co KG, D-51381 Leverkusen, Germany

来源：

JOURNAL OF CHEMICAL AND ENGINEERING DATA | 2003年 / 48卷 / 03期

关键词：

D O I：

10.1021/je025626e

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

COSMO-RS, a general and fast method for the prediction of thermophysical data of liquids, is used for the calculation of activity coefficients at infinite dilution for 38 compounds in the ionic liquids 1-methyl3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, 1,2-dimethyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, and 4-methyl-N-butylpyridinium tetrafluoroborate. Calculated values for (314 and 344) K are presented and compared with experimental data.

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页码：475 / 479

页数：5

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