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 …

Recent development of novel water‐immiscible green solvents known as hydrophobic deep
eutectic solvents (HDESs) has opened the gates for applications requiring media where the …

In this article, we have performed an all-atom molecular dynamics simulation study to
investigate the influence of water on the molecular level arrangement of reline deep eutectic …

Atomistic molecular dynamics simulations have been performed to investigate the
microscopic structure of ethaline deep eutectic solvent (DES), a mixture of choline chloride …

We apply all-atom molecular dynamics simulations to describe the bulk morphology and
interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in …

Hydrophobic deep eutectic solvents (HDESs) have recently emerged as a class of water-
immiscible solvents with greener starting materials and inherent hydrophobic character …

A liquid–liquid transition (LLT) is a transformation from one liquid to another through a first-
order transition. The LLT is fundamental to the understanding of the liquid state and has …

Recently, the introduction of novel deep eutectic solvents having a hydrophobic character
with greener starting materials has motivated researchers to explore these water-immiscible …

Basic issues of molecular modelling of ionic liquids with fixed-charge force fields are
validated from extensive free energy calculations, component-specific force-field refitting …

Phosphonium ionic liquids (ILs) have various uses, including as environmentally benign
lubricants and lubricant additives. The properties and behavior of these ILs depend on their …