Prediction of Vapor-Liquid Equilibria of Alcohol-Hydrocarbon Systems by ^1H NMR and Azeotropic Point  

作　　者：许映杰 姚加 姚萍 李浩然 韩世钧 

机构地区：[1]Department of Chemistry, Shaoxing University, Shaoxing 312000, China [2]Department of Chemistry, Zhejiang University, Hangzhou 310027, China

出　　处：《Chinese Journal of Chemical Engineering》2010年第3期455-461,共7页中国化学工程学报（英文版）

基　　金：Supported by the Research Project Foundation of the Education Department of Zhejiang Province （20061157）, the Natural Science Foundation of Zhejiang Province （Y4090453）, and the Key Research Project Foundation of Shaoxing University.

摘　　要：With the energy parameters obtained from1H nuclear magnetic resonance(NMR)chemical shifts data by local composition model and coupled with azeotropic point,the low-pressure vapor-liquid equilibrium is satisfactorily predicted for alcohol+hexane,alcohol+cyclohexane,and alcohol+benzene binary systems at different temperatures.The relationship between the spectroscopic information and thermodynamic property is presented.With the energy parameters obtained from ^1H nuclear magnetic resonance（NMR）chemical shifts data by local composition model and coupled with azeotropic point,the low-pressure vapor-liquid equilibrium is satisfactorily predicted for alcohol＋hexane,alcohol＋cyclohexane,and alcohol＋benzene binary systems at different temperatures.The relationship between the spectroscopic information and thermodynamic property is presented.

关 键 词：vapor-liquid equilibrium ^1H nuclear magnetic resonance azeotropic point local composition alcohol-hydrocarbon system 

分 类 号：O482.532[理学—固体物理] S66[理学—物理]