Parameterization of COSMO-RS model for ionic liquids
The adjustable parameters in the popular conductor-like screening model for real solvents (COSMO-RS) within the Amsterdam density functional (ADF) framework have been re-optimized to fit for the systems containing ionic liquids (ILs). To get the optimal values of misfit energy constant a′, hydrogen...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co., Ltd.
2018-07-01
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| Series: | Green Energy & Environment |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2468025717301516 |