Critical Properties of Ionic Liquids. Revisited
Critical Properties of Ionic Liquids. Revisited
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DOI：
10.1021/ie900250g
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发表时间：
2009-06
影响因子：
4.2
通讯作者：
J. Valderrama;Roberto E. Rojas
中科院分区：
文献类型：
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作者：
J. Valderrama;Roberto E. Rojas
对Valderrama和Robles于2007年提出并由Valderrama等人于2008年推广的估算离子液体临界性质的基团贡献法进行了修正，并加入了新的基团。最初提出的方法已被几位作者用于高压相平衡，密度相关性，热容估计和混合物数据的一致性检验等应用中。因此，重要的是要有一个一致和可靠的方法，使所有的应用程序考虑相同的假设和关键属性的值。重新计算了作者以前报道的值，统一了离子液体的名称、形成分子的基团的分配以及基团的等效性的标准。此外，还提供了一个电子表格文件作为支持信息，该文件允许任何读者计算包含该方法定义的44个基团的任何离子液体的临界性质。
The group contribution method proposed by Valderrama and Robles in 2007 and extended by Valderrama et al. in 2008 to estimate the critical properties of ionic liquids is revised and new groups have been included. The method originally proposed has been used by several authors in applications such as high pressure phase equilibrium, density correlations, heat capacity estimations, and consistency tests for mixture data. Therefore, it is important to have a consistent and reliable method so all applications consider the same assumptions and values for the critical properties. The values previously reported by the authors are recalculated, unifying criteria for the names of the ionic liquids, for the assignment of the groups forming the molecules, and for the equivalence of groups. Also, a spreadsheet file that allows any reader to calculate the critical properties of any ionic liquid containing the 44 groups defined by the method is provided as Supporting Information.