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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
Source PublicationFLUID PHASE EQUILIBRIA
ISSN0378-3812
Volume427Issue:NOVPages:406-413
Abstract

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.

KeywordEquation Of State Ionic Liquid Density Prediction Perturbation Theory
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.fluid.2016.07.027
Indexed BySCI
Language英语
WOS KeywordMEAN SPHERICAL APPROXIMATION ; THERMODYNAMIC PROPERTIES ; PHYSICAL-PROPERTIES ; BINARY-MIXTURES ; SURFACE-TENSION ; THERMOPHYSICAL PROPERTIES ; STRUCTURAL VARIATIONS ; PRESSURE RANGE ; PC-SAFT ; TEMPERATURE
WOS Research AreaThermodynamics ; Chemistry ; Engineering
WOS SubjectThermodynamics ; Chemistry, Physical ; Engineering, Chemical
Funding OrganizationNational Natural Science Foundation of China(U1407111)
WOS IDWOS:000383944200045
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/21472
Collection生化工程国家重点实验室
Affiliation1.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
Recommended Citation
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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