Prediction of vapor-liquid equilibria of alcohol+hydrocarbon systems by ¹H NMR spectroscopy

详细信息	查看全文 | 推荐本文 |

• 作者：Yingjie Xu^a ; ^{xuyj@usx.edu.cn} ; Wu Qian^a ; Qiongqiong Gao^a ; Haoran Li^b
• 关键词：Phase equilibria ; Thermodynamics ; Solutions ; Microstructure ; NMR ; Local composition
• 刊名：Chemical Engineering Science
• 出版年：2012
• 期刊代码：18_00092509
• 类别：ce
• 出版时间：28 May, 2012
• 卷：74
• 期：Complete
• 页码：211-218
• 文件大小：402 K

摘要

The ¹H 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 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.