Development of a New Group Contribution Method Based on GCVOL Model for the Estimation of Pure Ionic Liquid Density over a Wide Range of Temperature and Pressure

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• 作者：Nathan S. Evangelista ; Frederico R. do Carmo ; R铆lvia S. de Santiago-Aguiar ; Hosiberto B. de Sant鈥橝na
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2014
• 出版时间：June 4, 2014
• 年：2014
• 卷：53
• 期：22
• 页码：9506-9512
• 全文大小：303K
• 年卷期：v.53,no.22(June 4, 2014)
• ISSN：1520-5045

文摘

A new group contribution method based on GCVOL model developed by Elbro et al. in 1991 [Elbro, H. S.; Fredenslund, A.; Rasmussen, P. Ind. Chem. Eng. Res. 1991, 30, 2576鈥?582] is proposed for the estimation of ionic liquids density over a wide range of temperature and pressure. A total of 102 new groups for ionic liquids were introduced to the already 60 existing groups revised and proposed in 2003 by Ihmels and Gmehling [Ihmels, E. C.; Gmehling, J. Ind. Chem. Eng. Res. 2003, 42, 408鈥?12]. These groups were proposed based on a collection of density data from literature. The databank contains data of 864 different ionic liquids, including dicationic and tricationic species, and a total of 21鈥?45 data points, covering a temperature range of 251.62鈥?73.15 K and a pressure range of 0.1鈥?00.0 MPa. An average absolute relative deviation (%AARD) of 0.83% was obtained, indicating that our model is able to predict densities of a great variety of ionic liquids accurately.