Prediction of solubility of the aromatic compounds in supercritical CO2 using molecular topology

被引：8
|
作者：
Tian, Guohua [1 ]
Jin, Junsu [1 ]
Zhang, Zeting [1 ]
机构：
[1] Beijing Univ Chem Technol, Coll Chem Engn, Beijing 100029, Peoples R China
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2007年 / 46卷 / 19期
关键词：
D O I：
10.1021/ie0701874
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Enlightened by inductive-deductive thought, through the introduction of molecular topology into the supercritical field, the relation of aromatic solutes' solubility to their molecular structures is developed by a one-off correlation of large training sets, and then this inductive relation has been used to predict the 148 solubility data for other 10 aromatic compounds.
引用
收藏
页码：6326 / 6331
页数：6
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