CIESC Journal ›› 2010, Vol. 18 ›› Issue (3): 455-461.

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

许映杰1,2, 姚加2, 姚萍1, 李浩然2, 韩世钧2   

  1. 1. Department of Chemistry, Shaoxing University, Shaoxing 312000, China;
    2. Department of Chemistry, Zhejiang University, Hangzhou 310027, China
  • 收稿日期:2009-12-16 修回日期:2010-03-29 出版日期:2010-06-28 发布日期:2010-06-28
  • 通讯作者: LI Haoran,E-mail:lihr@zju.edu.cn
  • 基金资助:
    Supported by the Research Project Foundation of the Education Department of Zhejiang Province(20061157);the Natural Science Foundation of Zhejiang Province(Y4090453);the Key Research Project Foundation of Shaoxing University

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

XU Yingjie1,2, YAO Jia2, YAO Ping1, LI Haoran2, HAN Shijun2   

  1. 1. Department of Chemistry, Shaoxing University, Shaoxing 312000, China;
    2. Department of Chemistry, Zhejiang University, Hangzhou 310027, China
  • Received:2009-12-16 Revised:2010-03-29 Online:2010-06-28 Published:2010-06-28
  • Supported by:
    Supported by the Research Project Foundation of the Education Department of Zhejiang Province(20061157);the Natural Science Foundation of Zhejiang Province(Y4090453);the Key Research Project Foundation of Shaoxing University

摘要: 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

Abstract: 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.

Key words: vapor-liquid equilibrium, 1H nuclear magnetic resonance, azeotropic point, local composition, alcohol-hydrocarbon system