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

Phys Chem Chem Phys. 2019 Nov 14;21(42):23305-23309. doi: 10.1039/c9cp03021b. Epub 2019 Oct 16.

Abstract

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, [C2mim][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.