Ionic liquids (ILs) are a special category of molten salts solely composed of ions with varied
molecular symmetry and charge delocalization. The versatility in combining varied cation …

We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …

Ionic liquids (ILs), salts with melting points below 100° C, represent a fascinating class of
liquid materials typically characterized by an extremely low vapor pressure. Besides their …

The interfacial properties of deep eutectic solvents based on choline cloride plus urea,
glycerol, or malonic acid in contact with gas phases composed by pure CO2, pure SO2, and …

How to completely remove the water from ionic liquids (ILs) is difficult for researchers
because of the hygroscopicity of ILs. In order to study the hygroscopicity of ILs, two kinds of …

The room temperature ionic liquid (RTIL) air–liquid interface plays an important role in many
applications. Herein, we present molecular dynamics simulation results for the air–liquid …

Alkylation of isobutane and butenes in ionic liquids (ILs) is an important industrially applied
and environmentally friendly process for the production of high quality gasoline. In a scale …

Hypothesis A reliable modelling approach is required for simultaneous characterisation of
static and dynamic properties of bulk and interfacial ionic liquids (ILs). This is a prerequisite …

Hypothesis Experimental information on the molecular scale structure of ionic liquid
interfaces is controversial, giving rise to two competing scenarios, namely the double layer …

The paper presents a study of the behavior of room-temperature ionic liquids with different
alkyl chain lengths and anion types in slit negatively charged carbon nanopores of various …