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Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids
Liu Qing-Shan1; Yang Miao1; Tan Zhi-Cheng1,2; Welz-Biermann, Urs1; Tan ZC(谭志诚); Urs Welz-Biermann
KeywordIonic Liquids Density Surface Tension Parachor Enthalpy Of Vaporization Molecular Volume
Source PublicationACTA PHYSICO-CHIMICA SINICA
2010-06-01
DOI10.3866/PKU.WHXB20100534
Volume26Issue:6Pages:1463-1467
Indexed BySCI
SubtypeArticle
Department2
Funding Project207
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordSURFACE-TENSION ; TEMPERATURE ; DENSITY ; VAPORIZATION ; ENTHALPIES
AbstractThe physicochemical properties of ionic liquids (ILs) at 298.15 K could be estimated and predicted in terms of empirical and semi. empirical equations as well as by interstice model theory. In this paper, the molecular volume, density, standard molar entropy, lattice energy, surface tension, parachor, molar enthalpy of vaporization, interstice volume, interstice fraction, and thermal expansion coefficient are discussed. These properties were first estimated by experimentally determining the density and surface tension for 1-ethyl-3-methylimidazolium ethylsulfate ([C(2)mim][EtSO4]), 1-butyl-3-methylimidazolium octylsulfate ([C(4)mim][OcSO(4)]), and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C(2)mim][NTf2]). The molecular volume and parachor of the three homologues of the imidazolium. based ILs [C(n)mim][EtSO4], [C(n)mim][OcSO(4)], and [C(n)mim][NTf2] (n=1-6) were predicted and their densities and surface tensions were obtained. Other properties were also calculated using the obtained density and surface tension values. The predicted density was compared to the experimental values for [C(4)mim][NTf2] and [C(2)mim][OcSO(4)], which shows that the deviation between experimental and predicted data are within experimental error. Finally, we compared the values for the molar enthalpy of vaporization estimated by Kabo's empirical equation with those predicted by Verevkin's simple rule for [C(2)mim][EtSO4], [C(4)mim][OcSO(4)], [C(2)mim][NTf2], [C(4)mim][NTf2], N-butyltrimethylammonium bis(trifluoromethylsulfonyl)imide [N-4111][NTf2], N-methyltrioctylammonium bis(trifluoromethylsulfonyl) imide ([N-8881][NTf2]), and N-octyl-3-methylpyridinium tetrafluoroborate ([m(3)opy][BF4]) and found that the values obtained by these two equations were in good agreement with each other. Therefore, we suggest that the molar enthalpy of vaporization of ILs can be predicted by Verevkin's simple rule when experimental data for density and surface tension are not available.
Language英语
URL查看原文
WOS IDWOS:000278106600001
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/103599
Collection中国科学院大连化学物理研究所
Corresponding AuthorTan ZC(谭志诚); Urs Welz-Biermann
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, China Ion Liquid Chem, Dalian 116023, Liaoning Prov, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Thermochem Lab, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Liu Qing-Shan,Yang Miao,Tan Zhi-Cheng,et al. Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids[J]. ACTA PHYSICO-CHIMICA SINICA,2010,26(6):1463-1467.
APA Liu Qing-Shan,Yang Miao,Tan Zhi-Cheng,Welz-Biermann, Urs,谭志诚,&Urs Welz-Biermann.(2010).Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids.ACTA PHYSICO-CHIMICA SINICA,26(6),1463-1467.
MLA Liu Qing-Shan,et al."Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids".ACTA PHYSICO-CHIMICA SINICA 26.6(2010):1463-1467.
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