文献类型：期刊文献

英文题名：Prediction of vapor-liquid equilibria of alcohol plus hydrocarbon systems by H-1 NMR spectroscopy

作者：Xu, Yingjie[1];Qian, Wu[1];Gao, Qiongqiong[1];Li, Haoran[2]

机构：[1]Shaoxing Univ, Dept Chem, Shaoxing 312000, Zhejiang, Peoples R China;[2]Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China

年份：2012

卷号：74

起止页码：211

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：SCI-EXPANDED(收录号：WOS:000302770900021)、、WOS

基金：The authors are grateful for the financial supports from the National Natural Science Foundation of Zhejiang Province (No. Y4090453) and Undergraduate Scientific and Technological Innovation Project of Zhejiang Province (No. 2011R426011).

语种：英文

外文关键词：Phase equilibria; Thermodynamics; Solutions; Microstructure; NMR; Local composition

外文摘要：The H-1 NMR chemical shifts of alcohol + hydrocarbon systems over the whole concentration range at 298.15 K were measured. Based on the concept of local composition (LC), the concentration-dependent H-1 NMR chemical shift data of the OH and CH groups for 13 alcohol+hydrocarbon systems were correlated with only one energy parameter, respectively. Using the parameters obtained from the spectra alone, the isothermal and isobaric vapor-liquid equilibria (VLE) data of the above-mentioned alcohol+hydrocarbon systems were predicted with satisfactory results. By this way, the spectroscopic information can be used to predict VLE data of alcohol+hydrocarbon systems directly. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.