文献类型：期刊文献

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

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

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

年份：2012

卷号：74

起止页码：211

外文期刊名：Chemical Engineering Science

收录：EI(收录号：20121514938743)、Scopus(收录号：2-s2.0-84858729201)

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：Chemical shift - Microstructure - Nuclear magnetic resonance - Nuclear magnetic resonance spectroscopy - Phase equilibria - Solutions - Thermodynamics

外文摘要：The 1H NMR chemical shifts of alcohol+hydrocarbon systems over the whole concentration range at 298.15K were measured. Based on the concept of local composition (LC), the concentration-dependent 1H 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. ? 2012.