Assessing the Dispersive and Electrostatic Components of the Cohesive Energy of Ionic Liquids Using Molecular Dynamics Simulations and Molar Refraction Data

Author:

Shimizu Karina1,Tariq Mohammad1,Gomes Margarida F. Costa1,Rebelo Luís P. N.1,Lopes José N. Canongia1

Affiliation:

1. Centro de Química Estrutural, Instituto Superior Técnico, 1049 001 Lisboa, Portugal, Instituto de Tecnologia Química e Biológica, UNL, 2780 901 Oeiras, Portugal, CNRS, UMR 6272, LTIM, and Clermont Université, Université Blaise Pascal, Clermont-Ferrand, France

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Reference27 articles.

1. Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion

2. Moldover, M. R.InIUPAC Experimental Thermodynamics Vol. VI: Measurement of the Thermodynamic Properties of Single Phases;Goodwin, A. R. H.; Marsh, K. N.; Wakeham, W. A., Eds.Elsevier:Amsterdam, 2003; pp435−451.

3. Predicting physical properties of ionic liquids

4. Modeling Ionic Liquids Using a Systematic All-Atom Force Field

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