Microstructural and dynamical heterogeneities in ionic liquids

YL Wang, B Li, S Sarman, F Mocci, ZY Lu… - Chemical …, 2020 - ACS Publications
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 …

[HTML][HTML] Solvent developments for liquid-liquid extraction of carboxylic acids in perspective

LMJ Sprakel, B Schuur - Separation and purification technology, 2019 - Elsevier
The growing desire to produce organic acids through fermentative routes, as a starting point
for bio-based plastics, has revived the scientific attention on carboxylic acid removal from …

Influence of hydration on the structure of reline deep eutectic solvent: A molecular dynamics study

P Kumari, Shobhna, S Kaur, HK Kashyap - Acs Omega, 2018 - ACS Publications
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 …

Anatomy of microscopic structure of ethaline deep eutectic solvent decoded through molecular dynamics simulations

S Kaur, A Malik, HK Kashyap - The Journal of Physical Chemistry …, 2019 - ACS Publications
Atomistic molecular dynamics simulations have been performed to investigate the
microscopic structure of ethaline deep eutectic solvent (DES), a mixture of choline chloride …

Nanoscale spatial heterogeneity in deep eutectic solvents

S Kaur, A Gupta, HK Kashyap - The Journal of Physical Chemistry …, 2016 - ACS Publications
In this article, we report a molecular dynamics simulation study on the X-ray and neutron
scattering structures of deep eutectic solvents (DESs) and show that the DESs studied …

Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study

S Kaur, S Sharma, HK Kashyap - The Journal of chemical physics, 2017 - pubs.aip.org
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 …

Unusual temperature dependence of nanoscale structural organization in deep eutectic solvents

S Kaur, HK Kashyap - The Journal of Physical Chemistry B, 2018 - ACS Publications
In a recent work, we reported the existence of nanoscale spatial organization in
(alkylamide+ Li+/ClO4–)-based deep eutectic solvents (DESs). We also described that the …

Liquid Structure of Ionic Liquids with [NTf2] Anions, Derived from Neutron Scattering

A McGrogan, J Lafferty, L O'Neill, L Brown… - The Journal of …, 2024 - ACS Publications
The liquid structure of three common ionic liquids (ILs) was investigated by neutron
scattering for the first time. The ILs were based on the bis (trifluoromethanesulfonyl) imide …

[HTML][HTML] Communication: Nanoscale structure of tetradecyltrihexylphosphonium based ionic liquids

JJ Hettige, JC Araque, HK Kashyap… - The Journal of chemical …, 2016 - pubs.aip.org
In a recent communication [JJ Hettige et al., J. Chem. Phys. 140, 111102 (2014)], we
investigated the anomalous temperature dependence of the X-ray first sharp diffraction peak …

New mechanism and model of butyric acid extraction by phosphonium ionic liquid

J Marták, S Schlosser - Journal of Chemical & Engineering Data, 2016 - ACS Publications
A new model of the liquid/liquid equilibrium of butyric acid (BA) and water extraction from
aqueous solutions to an organic solvent containing phosphonium ionic liquid and dodecane …