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Nanowetting of Graphene by Ionic Liquid Droplets
(
American Chemical Society
, 2015 , Article)
The behavior of nanodroplets formed by amino acid based 1-ethyl-3-methylimidazolium glycine ionic liquid on graphene sheets was studied using classic molecular dynamics. Nanodroplets of different sizes were analyzed, and ...
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents
(
Elsevier
, 2015 , Article)
The nanoscopic characteristics and macroscopic physicochemical properties of choline chloride:levulinic acid (1:2 mole ratio) deep eutectic solvent are analyzed from molecular dynamics simulations. Considering the ionic ...