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In this work we present the dielectric behavior of water with a novelflexible model that improved all three sites water models Differentconcentrations of the ionic liquid 1- butyl-3-methylimidazolium [bmim]bis(trifluoromethanesulfonyl)imide [Tf 2 N] with water was investigated. Thestudy was performed by molecular dynamics simulations using three water models,being two non-polarizable 3-site SPC/E and SPC/e, and a novel flexible 3-siteFAB/epsilon model. Systematic thermodynamics, dynamical and dielectricproperties were investigated, such as density, diffusion coefficient, heat ofvaporization Delta-Hvap, and surface tension at 300 K and 1 bar. Weextrapolated the experimental molar fraction of the mixtures and a patternchange for all properties was observed, evidencing the phase separationpreviously reported by experimental data. The results also display thedielectric effect of the system on the calculated properties.

Dielectric behavior of Water in [bmim] [Tf 2 N] room-temperature Ionic Liquid, molecular dynamic study