A density functional theory insight towards the rational design of ionic liquids for SO2 capture.

Modeling Solubility Behavior of CO2 in [C2-mim][BF4] and [C4-mim][BF4] Ionic Liquids by sPC-SAFT Equation of State

The simplified perturbed chain statistical associating fluid theory (sPC-SAFT) Equation of State (EOS) was proposed to describe the thermodynamic properties of pure ionic liquids (ILs). A set of sPC-SAFT parameters for 2 ILs was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. Good agreement with experimental density data was o...

Highly efficient SO2 capture by dual functionalized ionic liquids through a combination of chemical and physical absorption.

Two kinds of dual functionalized ionic liquids with ether-functionalized cations and tetrazolate anions were designed, prepared, and used for SO(2) capture, which exhibit an extremely high SO(2) capacity and excellent reversibility through a combination of chemical and physical absorption.

Reaction of Sulfur Dioxide (so2) with Reversible Ionic Liquids (revils) for Carbon Dioxide (co2) Capture

A Recyclable Poly(ionic liquid)s Enzyme Reactor for Highly Efficient Protein Digestion

One of the most significant tasks for proteomic research and industrial applications, is the preparation of recyclable enzyme reactor. Herein, a novel recyclable enzyme reactor has been developed based on monodispersed spherical poly(quaternary ammonium ionic liquid)s particles immobilized trypsin. A new quaternary ammonium ionic liquids functional monomer was first synthesized. The ionic l...

The effect of halogen atoms at propanoate anion on thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium propionate Ionic Liquid

The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate and trihalopropanoate were considered under theoretical study by Density Functional Theory (DFT). To make effect of halogens atom on anion, propionate, trifluro propionate, trichloro propionate, and tribromo p...