Ionic liquids are an emerging class of materials with a diverse and extraordinary set of
properties. Understanding the origins of these properties and how they can be controlled by …

The large collection of thermophysical properties data for liquids available in the open
literature is analyzed, describing its importance for industrial purposes. Although there has …

In the context of carbon geo-sequestration projects, brine–CO2 interfacial tension γ and
brine–CO2–rock surface water contact angles θ directly impact structural and residual …

Refined parameters of an atomistic interaction potential model for the room temperature
ionic liquid 1-n-butyl, 3-methylimidazolium hexafluorophosphate are presented. Classical …

A recently developed coarse-grained model (J. Phys. Chem. B, 2010, 114, 12629–12631),
previously validated against experimental data for a number of bulk properties, is used in …

Molecular dynamics simulations for the liquid− vacuum interface of the ionic liquid 1-ethyl-3-
methylimidazolium nitrate (EMIM+/NO3-) were performed for both electronically polarizable …

The structure of the planar liquid− vapor interface of a room-temperature ionic liquid, 1-n-
butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]), is studied using atomistic …

Molecular dynamics simulations of the liquid/vacuum surfaces of the room temperature ionic
liquids [bmim][PF6],[bmim][BF4] and [bmim][Cl] have been carried out at various …

The simulation results of surface tension at the liquid-vapor interface are presented for fluids
interacting with Lennard Jones and square-well potentials. From the simulation of liquids we …

We report a molecular dynamics study of the interface between water and (macroscopically)
water-immiscible room-temperature ionic liquids “ILs”, composed of PF6-anions and butyl …