期刊
FLUID PHASE EQUILIBRIA
卷 479, 期 -, 页码 25-32出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.fluid.2018.09.022
关键词
Ionic liquids; Group contribution; Equation of state; 1-alkyl-3-methylimidazolium dimethylphosphate; 1-alkyl-3-methylimidazolium diethylphosphate; GC-EoS
资金
- MINECO [ENE2014-53459-R]
- Erasmus Mundus Eurica PhD student grant
- Spanish Ministry of Economy and Competitiveness
- Consejo Nacional de Investigaciones Cientificas y Tecnicas [PIP 112 2015 010 856]
- Ministerio de Ciencia, Tecnologia e Innovacion Productiva [PICT 2016 0907]
- Universidad Nacional del Sur [PGI - 24/M133]
In this work, the Group Contribution Equation of State (GC-EoS) is extended to model two new ionic liquid families, namely, 1-alkyl-3-methylimidazolium dimethylphosphate ([-Melm](+)[Me2PO4](-)) and 1-alkyl-3-methylimidazolium diethylphosphate ([-Melm](+)[Et2PO4](-)). Pure group parameters for the functional groups [-Melm](+)[Me2PO4](-) and [-Melm](+)[Et2PO4](-) and interaction parameters between these groups and the main paraffinic and aromatic subgroups (CH3, CH2, ACH, AC, ACCH(3), CH2=CH) were estimated using infinite dilution activity coefficients from literature. In order to evaluate the performance of the new parameters, the model was compared with experimental data on the phase behavior of binary mixtures, showing an average relative deviation of 4.5%. (C) 2018 Elsevier B.V. All rights reserved.
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