Water Phase Diagram Is Significantly Altered by Imidazolium Ionic Liquid.
We report unusually large changes in the boiling temperature, saturated vapor pressure, and structure of the liquid-vapor interface for a range of 1-butyl-3-methyl tetrafluoroborate, [C4C1IM][BF4]-water mixtures. Even modest molar fractions of [C4C1IM][BF4] significantly affect the phase behavior of water, as represented, for instance, by strong negative deviations from Raoult's law, extending far beyond the standard descriptions. The investigation was carried out using classical molecular dynamics employing a specifically refined force field. The changes in the liquid-vapor interface and saturated vapor pressures are discussed at the atomistic resolution. The reported results guide the search for novel scientific and technological applications of ion-molecular systems.
†MEMPHYS - Center for Biomembrane Physics, Syddansk Universitet, Campusvej 55, Odense M 5230, Kingdom of Denmark.|‡Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, United States.
Vitaly V
VV
Chaban
‡Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, United States.
Oleg V
OV
Prezhdo
imidazolium ionic liquid; liquid−vapor interface; molecular dynamics; phase diagram; water