Density modelling of ionic liquids using the electrolyte Soave-Redlich-Kwong equation of state

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• 作者：Pablo Mé ; ndez ; Milton Medeiros ; ^{milton.medeiros@unam.mx}
• 关键词：AAD ; absolute average deviation AAD=100#data&sum ; i=1#data|ρieSRK-ρiexp|ρiexp ; [Ac] ; acetate ; [B(CN)4] ; tetracyanoborate ; [BF4] ; tetrafluoroborate ; [C(CN)3] ; tricyanomethanide ; [CF3BF3] ; trifluoromethyltrifluoroborate ; [(C2F5)3PF3] ; tris(pentafluoroethyl)triflourophosphate ; [CF3SO3] ; trifluoromethanesulfonate ; [(C2H4OCH3)N221] ; N-methoxyethyl-N ; N-diethyl-N-methylammonium ; [C2C2im] ; 1 ; 3-diethylimidazolium ; [C4C1mim] ; 1-butyl-2 ; 3-dimethylimidazolium ; [C2mim] ; 1-ethyl-3-methylimidazolium ; [C3mim] ; 1
• 刊名：The Journal of Chemical Thermodynamics
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：105
• 期：Complete
• 页码：414-422
• 全文大小：642 K
• 卷排序：105

文摘

The electrolyte SRK EoS was used to correlate the densities of pure ionic liquids. Group contribution methods are applied to estimate the equation parameters. The modelling requires only one adjustable parameter. The new adjustable constant can be calculated from a single density datum. The approach was extended to predict densities from ionic liquid’s structure.