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 …

A review on machine learning algorithms for the ionic liquid chemical space

S Koutsoukos, F Philippi, F Malaret, T Welton - Chemical science, 2021 - pubs.rsc.org
There are thousands of papers published every year investigating the properties and
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …

Targeted modifications in ionic liquids–from understanding to design

F Philippi, T Welton - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Ionic liquids are extremely versatile and continue to find new applications in academia as
well as industry. This versatility is rooted in the manifold of possible ion types, ion …

Ionic liquids and deep eutectics as a transformative platform for the synthesis of nanomaterials

OS Hammond, AV Mudring - Chemical Communications, 2022 - pubs.rsc.org
Ionic liquids (ILs) are becoming a revolutionary synthesis medium for inorganic
nanomaterials, permitting more efficient, safer and environmentally benign preparation of …

Modern room temperature ionic liquids, a simple guide to understanding their structure and how it may relate to dynamics

JC Araque, JJ Hettige, CJ Margulis - The Journal of Physical …, 2015 - ACS Publications
Modern room temperature ionic liquids are structurally defined by symmetries on different
length scales. Polar–apolar alternation defines their nanoscale structural heterogeneity …

How hydration affects the microscopic structural morphology in a deep eutectic solvent

S Kaur, A Gupta, HK Kashyap - The Journal of Physical Chemistry …, 2020 - ACS Publications
Recently, it has been observed that choline chloride ([Ch][Cl]) based deep eutectic solvents
(DESs) may possess nanostructures in which chloride ions play a major role by providing a …

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 …

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 …

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 …

A brief guide to the structure of high-temperature molten salts and key aspects making them different from their low-temperature relatives, the ionic liquids

S Sharma, AS Ivanov, CJ Margulis - The Journal of Physical …, 2021 - ACS Publications
High-temperature molten salt research is undergoing somewhat of a renaissance these
days due to the apparent advantage of these systems in areas related to clean and …