Parameterization of COSMO-RS model for ionic liquids
نویسندگان
چکیده
منابع مشابه
Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols + ionic liquids
The huge number of possible combinations of binary mixtures of alcohols and ionic liquids (ILs) make the exhaustive measurement of all these ystems impracticable requiring the use of a predictive model for their study. In this work, the predictive capability of COSMO-RS, a model based n unimolecular quantum chemistry calculations, was evaluated for the description of the liquid–liquid equilibri...
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The separation of aromatic and aliphatic hydrocarbons is challenging, due to overlapping boiling points and formation of several azeotropes. Conventional solvents for those separations are polar substances, e.g. sulfolane. Recently it could be shown that ionic liquids can perform considerably better than common extraction solvents. Hence, ionic liquids can be a promising alternative [1]. Ionic ...
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COSMO-RS is a novel and efficient method for the a-priori prediction of thermodynamic properties of mixtures. It is based on unimolecular quantum chemical calculations that provide the necessary information for the evaluation of molecular interactions in liquids. Thus, the method provides an alternative to group contribution methods such us UNIFAC for the true prediction of activity coefficient...
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ژورنال
عنوان ژورنال: Green Energy & Environment
سال: 2018
ISSN: 2468-0257
DOI: 10.1016/j.gee.2018.01.001