Predicting infinite-dilution activity coefficients of organic solutes in ionic liquids

被引：84
作者：
Eike, DM [1 ]
Brennecke, JF [1 ]
Maginn, EJ [1 ]
机构：
[1] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2004年 / 43卷 / 04期
关键词：
D O I：
10.1021/ie034152p
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Room-temperature ionic liquids have shown great potential as media for reactions and separations. Information on how solutes interact with these solvents is crucial in assessing their usefulness. Here, the quantitative structure-property relationship (QSPR) method is used to correlate values of infinite-dilution activity coefficients for 38 solutes in three ionic liquids. Constant-temperature and temperature-dependent correlations are created with correlation coefficients ranging from R-2 = 0.90 to R-2 = 0.99. In addition, correlation parameters are analyzed to understand the interactions that affect infinite-dilution activity coefficients.
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收藏
页码：1039 / 1048
页数：10
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