The rapid progress in the global population and technical advances have resulted in
exponential growth in the use of fossil fuels. These are not only limited in resources but also …

The inherent structure tunability, good affinity with CO2, and nonvolatility of ionic liquids (ILs)
drive their exploration and exploitation in CO2 separation field, and has attracted …

This work focuses on the stability, reactivity and electronic interionic interactions of methyl-
substituted imidazolium (MMMIM) based ionic liquids (ILs); 1, 2, 4-trimethylimidazolium …

Density functional theory (DFT), atoms in molecules (AIM) theory, natural bond orbital (NBO)
analysis, and reduced density gradient (RDG) analysis were employed to investigate the …

The structural and dynamical changes in the solvation shell surrounding Li+ in a multianion
environment are studied by Raman spectroscopy and molecular dynamics (MD) simulations …

This paper presents atomistic molecular dynamics simulation studies of lithium bis
(trifluoromethane) sulfonylimide (LiTFSI) in a blend of 1-ethyl-3-methylimidazolium (EMIm) …

Various cyclic carbonates were prepared by cycloaddition of carbon dioxide with different
epoxides using imidazolium-based catalysts grafted on a mesoporous silica support through …

Novel technologies in consideration of industrial sustainability (IS) are in urgent need to
satisfy the increasing demands from the society. IS realizes the production of materials while …

This study develops an integrated technical and economic modeling framework to
investigate the feasibility of ionic liquids (ILs) for precombustion carbon capture. The IL 1 …

In this Perspective, we present the unique gas adsorption capabilities of porous liquids (PLs)
and the value of complex computational methods in the design of PL compositions …