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Jones de Andrade

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#diffusion models Oct 2026

Thermophysical Properties of [EMIM][BF4] and [EMIM][EtSO4] Mixtures with Molecular Solvents from a Charge-Transfer-Informed Force Field

Abstract Thermophysical properties of the ionic liquids 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF4]) and 1-ethyl-3-methylimidazolium ethyl sulfate ([EMIM][EtSO4]), and of their binary mixtures with acetonitrile and ethanol, were investigated by molecular dynamics simulations using a classical force field...

Elvis S. Böes, Caio Lima Firme, Jones de Andrade et al. · 0 citations

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