4.6 Article

Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 21, Issue 42, Pages 23305-23309

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp03021b

Keywords

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Funding

  1. FCT (Fundacao para a Ciencia e a Tecnologia) [SFRH/BD/116600/2016, SFRH/BPD/101505/2014]
  2. FCT through the projects RD unit [UID/QUI/00100/2013, UID/Multi/04551/2013]
  3. Russian Foundation for Basic Research [16-0300768_a]
  4. grant of President of the Russian Federation For Young Outstanding Professors'' [MD-2371.2017.3]
  5. Fundação para a Ciência e a Tecnologia [SFRH/BD/116600/2016] Funding Source: FCT

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Simple mixtures of ionic liquids (IL-IL mixtures) can become a promising approach for the substitution of task-specific ILs. Such a concept was explored in this article by comparison of the thermophysical properties of neat 1-ethyl-3-methylimidazolium 2,2,2-trifluoromethylsulfonyl-N-cyanoamide, [C(2)mim][TFSAM], and equimolar mixtures of two structurally similar ILs having more common ions. Molecular dynamics (MD) simulations were additionally used to further highlight structural aspects of these systems at a molecular level.

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