Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state | |
Xu, Hongxiang1; Li, Haoran1; Wang, Junfeng2 | |
刊名 | FLUID PHASE EQUILIBRIA |
2016-11-15 | |
卷号 | 427期号:NOV页码:406-413 |
关键词 | Equation of state Ionic liquid Density Prediction Perturbation theory |
ISSN号 | 0378-3812 |
英文摘要 | 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. |
WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
类目[WOS] | Thermodynamics ; Chemistry, Physical ; Engineering, Chemical |
研究领域[WOS] | Thermodynamics ; Chemistry ; Engineering |
关键词[WOS] | MEAN SPHERICAL APPROXIMATION ; THERMODYNAMIC PROPERTIES ; PHYSICAL-PROPERTIES ; BINARY-MIXTURES ; SURFACE-TENSION ; THERMOPHYSICAL PROPERTIES ; STRUCTURAL VARIATIONS ; PRESSURE RANGE ; PC-SAFT ; TEMPERATURE |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000383944200045 |
内容类型 | 期刊论文 |
源URL | [http://ir.ipe.ac.cn/handle/122111/21472] |
专题 | 过程工程研究所_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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