Neat ionic liquids: Versus ionic liquid mixtures: A combination of experimental data and molecular simulation

Andreia S.L. Gouveia; Carlos E.S. Bernardes; Elena I. Lozinskaya; Alexander S. Shaplov; José N. Canongia Lopes; Isabel M. Marrucho

doi:10.1039/c9cp03021b

Neat ionic liquids: Versus ionic liquid mixtures: A combination of experimental data and molecular simulation

Andreia S.L. Gouveia, Carlos E.S. Bernardes, Elena I. Lozinskaya, Alexander S. Shaplov, José N. Canongia Lopes, Isabel M. Marrucho

Instituto de Tecnologia Química e Biológica António Xavier (ITQB)

Research output: Contribution to journal › Article

1 Citation (Scopus)

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.

Original language	English
Pages (from-to)	23305-23309
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	21
Issue number	42
DOIs	https://doi.org/10.1039/c9cp03021b
Publication status	Published - 1 Jan 2019

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Gouveia, A. S. L., Bernardes, C. E. S., Lozinskaya, E. I., Shaplov, A. S., Canongia Lopes, J. N., & Marrucho, I. M. (2019). Neat ionic liquids: Versus ionic liquid mixtures: A combination of experimental data and molecular simulation. Physical Chemistry Chemical Physics, 21(42), 23305-23309. https://doi.org/10.1039/c9cp03021b

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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.",

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Neat ionic liquids : Versus ionic liquid mixtures: A combination of experimental data and molecular simulation. / Gouveia, Andreia S.L.; Bernardes, Carlos E.S.; Lozinskaya, Elena I.; Shaplov, Alexander S.; Canongia Lopes, José N.; Marrucho, Isabel M.

In: Physical Chemistry Chemical Physics, Vol. 21, No. 42, 01.01.2019, p. 23305-23309.

Research output: Contribution to journal › Article

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AU - Gouveia, Andreia S.L.

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AU - Canongia Lopes, José N.

AU - Marrucho, Isabel M.

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