Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 43, Pages 29617-29624Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cp06081e
Keywords
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Funding
- FCT (Fundacao para a Ciencia e a Tecnologia) [SFRH/BD/116600/2016]
- FCT [SFRH/BPD/101793/2014, SFRH/BPD/101505/2014]
- FCT through the projects RD unit [UID/QUI/00100/2013, UID/Multi/04551/2013]
- Russian Foundation for Basic Research [16-03-00768_]
- Russian Federation For Young Outstanding Professors'' [MD-2371.2017.3]
- Fundação para a Ciência e a Tecnologia [SFRH/BD/116600/2016] Funding Source: FCT
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Herein, seven anions including four imide-based, namely bis[(trifluoromethyl) sulfonyl] imide (TFSI), bis(fluorosulfonyl) imide (FSI), bis[(pentafluoroethyl) sulfonyl] imide (BETI), 2,2,2-trifluoromethylsulfonyl-N-cyanoamide (TFSAM) and 2,2,2-trifluoro-N-(trifluoromethylsulfonyl) acetamide (TSAC), and two sulfonate anions, trifluoromethanesulfonate (triflate, TF) and nonafluorobutanesulfonate (NF), are considered and compared. The volumetric mass density and dynamic viscosity of five ionic liquids containing these anions combined with the commonly used 1-ethyl-3-methylimidazolium cation (C(2)C(1)im), [C(2)C(1)im][FSI], [C(2)C(1)im][BETI], [C(2)C(1)im][TFSAM], [C(2)C(1)im][TSAC] and [C(2)C(1)im][NF] are measured in the temperature range of 293.15 <= T/K <= 353.15 and at atmospheric pressure. The results show that [C(2)mim][FSI] and [C(2)mim][TFSAM] exhibit the lowest densities and viscosities among all the studied ionic liquids. The experimental volumetric data is used to validate a more consistent re-parameterization of the CL&P force field for use in MD simulations of ionic liquids containing the ubiquitous bis[(trifluoromethyl) sulfonyl] imide and trifluoromethanesulfonate anions and to extend the application of the model to other molten salts with similar ions.
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