Caio Lima Firme

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 s...