68 citations · 127 across the 4 of their papers we have counts for
4 papers
Effect of ion structure on the physicochemical properties and gas absorption of surface active ionic liquids
Jocasta Ávila, Daniel Lozano-Martín, Mirella Simões Santos +5
Surface active ionic liquids (SAILs) combine useful characteristics of both ionic liquids (ILs) and surfactants, hence are promising candidates for a wide range of applications. Ho…
Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure
Kalil Bernardino, Kateryna Goloviznina, Agílio A. H. Padua +2
The numerous combinations of cations and anions turn out possible to produce ionic liquids with fine-tuned properties once the correlation with the molecular structure is known. In…
Exfoliation of Graphene and Fluorographene in Molecular and Ionic Liquids
Emilie Bordes, Joanna Szala-Bilnik, Agílio A. H. Pádua
We use molecular dynamics simulation to study the exfoliation of graphene and fluorographene in molecular and ionic liquids, by performing computer experiments in which one layer o…
Resolving Dispersion and Induction Components for Polarisable Molecular Simulations of Ionic Liquids
Agílio A. H. Pádua
One important development in interaction potential models, or atomistic force fields, for molecular simulation is the inclusion of explicit polarisation, which represents the induc…