Application of the CL&P-Pol polarizable force field in the determination of the excess chemical potential of thiophene within the [C4mim] [BF4, Cl, Br, CH3COO] ionic liquids
The combustion of fossil fuels is an important source of air pollution due to the presence of sulfur-based compounds. In this regard, a reliable atomistic forcefield is required in order to provide insights on solute-solvent interactions, and in designing high aromatic sulfur extracting solvents. In...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
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| Series: | Journal of Ionic Liquids |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772422024000193 |