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Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state
Xu, Hongxiang1; Li, Haoran1; Wang, Junfeng2
2016-11-15
发表期刊FLUID PHASE EQUILIBRIA
ISSN0378-3812
卷号427期号:NOV页码:406-413
摘要

A group contribution equation of state (EOS) has already been developed to calculate the density of imidazolium-based ionic liquids (ILs) with good accuracy. IL was divided into several groups, i.e. cation head, anion, and alkyls. In order to further prove the widely applicability of the model and the group segmentation method for IL, the densities of 1-alkyl-3-methylimidazolium salts containing metal of group III and a large number of pyridinium, pyrrolidinium, ammonium, and phosphonium-based pure ILs were correlated/predicted in this work. First, a total of 222 data points of density for 27 pure ILs, were regressed to obtain the new soft-core diameter and dispersive energy parameters. Then, 908 density data points of 42 pure ILs from 278.15 to 393.15 K and up to 65.01 MPa were predicted on the basis of the obtained parameters. The results indicated that the EOS could well capture the effects of temperature, pressure and alkyl types on density. Finally, the EOS was further evaluated to predict the density data for binary IL mixtures without introducing any new parameters, and testified the extensive applicability of the EOS with average relative deviation of 0.70%. (C) 2016 Elsevier B.V. All rights reserved.

关键词Equation Of State Ionic Liquid Density Prediction Perturbation Theory
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
DOI10.1016/j.fluid.2016.07.027
收录类别SCI
语种英语
关键词[WOS]MEAN SPHERICAL APPROXIMATION ; THERMODYNAMIC PROPERTIES ; PHYSICAL-PROPERTIES ; BINARY-MIXTURES ; SURFACE-TENSION ; THERMOPHYSICAL PROPERTIES ; STRUCTURAL VARIATIONS ; PRESSURE RANGE ; PC-SAFT ; TEMPERATURE
WOS研究方向Thermodynamics ; Chemistry ; Engineering
WOS类目Thermodynamics ; Chemistry, Physical ; Engineering, Chemical
项目资助者National Natural Science Foundation of China(U1407111)
WOS记录号WOS:000383944200045
引用统计
被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/21472
专题生化工程国家重点实验室
作者单位1.China Univ Min & Technol Beijing, Sch Chem & Environm Engn, Beijing 100083, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, Natl Key Lab Biochem Engn, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714
Xu, Hongxiang,Li, Haoran,Wang, Junfeng. Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state[J]. FLUID PHASE EQUILIBRIA,2016,427(NOV):406-413.
APA Xu, Hongxiang,Li, Haoran,&Wang, Junfeng.(2016).Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state.FLUID PHASE EQUILIBRIA,427(NOV),406-413.
MLA Xu, Hongxiang,et al."Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state".FLUID PHASE EQUILIBRIA 427.NOV(2016):406-413.
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