Ionic liquids (ILs) have been widely used in biomedical and pharmaceutical fields as
solvents or permeation enhancers. Recently, more and more researchers focused on …

The catalytic effect of nanoparticles was significantly affected by its size and surface
property. In this work, a series of ionic liquids were synthesized and used as surfactant to …

Within the context of molecular simulations, one of the key force field parameters is the value
of the partial charges on different atom sites. Due to the influential role of electrostatics in the …

Ionic liquids (ILs) are known to have tunable solvation properties, based on the pairing of
different anions and cations, but the compositional landscape is vast and challenging to …

In this article, we perform all-atom molecular dynamics simulations to investigate the
structure and intermolecular interactions of Na+ ions in water-in-ionic liquids. We have …

Some traditional acidic ionic liquids (AILs) have shown great catalytic potential in
esterification; meanwhile, the design and application of more new AILs are expected at …

Development of antifouling membranes for water treatment using conducting polymers and
their composites is a fundamental strategy to mitigate the fouling. This manuscript presents …

This study reports the synthesis and comprehensive characterization of five fluorinated ionic
liquids (FILs), each composed of an imidazolium cation of varied fluoroalkyl chain lengths …

Molecular dynamics simulations are performed to probe the molecular-level interactions
between various ionic pairs in the reciprocal mixture consisting of equimolar amounts of the …

Ab initio calculations have been performed to systematically investigate the structures,
binding energies, vibrational spectra, as well as the non-covalent interactions of imidazolium …