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题名: Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids
作者: Liu Qing-Shan1;  Yang Miao1;  Tan Zhi-Cheng1, 2;  Welz-Biermann, Urs1
通讯作者: 谭志诚 ;  Urs Welz-Biermann
关键词: Ionic liquids ;  Density ;  Surface tension ;  Parachor ;  Enthalpy of vaporization ;  Molecular volume
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 2010-06-01
DOI: 10.3866/PKU.WHXB20100534
卷: 26, 期:6, 页:1463-1467
收录类别: SCI
文章类型: Article
部门归属: 2
项目归属: 207
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: The 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.
关键词[WOS]: SURFACE-TENSION ;  TEMPERATURE ;  DENSITY ;  VAPORIZATION ;  ENTHALPIES
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000278106600001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/103599
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.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:
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.
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