Prediction of vapor-liquid equilibria of alcohol-hydrocarbon systems by 1NMR and activity coefficients at infinite dilution

被引：17
作者：
Xu, YJ [1 ]
Li, HR [1 ]
Wang, CM [1 ]
Ma, L [1 ]
Han, SJ [1 ]
机构：
[1] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2005年 / 44卷 / 02期
关键词：
D O I：
10.1021/ie049503u
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Based on the concept of local composition, the H-1 NMR chemical shift data of the OH proton over the whole concentration for alcohol-hydrocarbon systems were correlated with only one energy parameter. This energy parameter was discussed and compared in various systems. Using this parameter and coupled with one activity coefficient at infinite dilution, the low-pressure vapor-liquid equilibrium was predicted for alcohol + hexane, alcohol + cyclohexane, and alcohol + benzene binary systems at different temperatures. In this way, the spectroscopic information can be related to thermodynamic properties.
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页码：408 / 415
页数：8
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