Industrial applications of ionic liquids
Since their conception, ionic liquids (ILs) have been investigated for an extensive range of
applications including in solvent chemistry, catalysis, and electrochemistry. This is due to …
applications including in solvent chemistry, catalysis, and electrochemistry. This is due to …
Structure and nanostructure in ionic liquids
Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes
We performed constant-potential molecular dynamics simulations to analyse the double-
layer structure and capacitive performance of supercapacitors composed of conductive …
layer structure and capacitive performance of supercapacitors composed of conductive …
A review on machine learning algorithms for the ionic liquid chemical space
There are thousands of papers published every year investigating the properties and
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …
Effect of water on the thermo-physical properties of Reline: An experimental and molecular simulation based approach
Increasing applications of ionic liquids and their analogues, namely Deep Eutectic Solvents
(DESs), requires further investigation into the effect of moisture content on the physico …
(DESs), requires further investigation into the effect of moisture content on the physico …
Modeling of CO2 capture ability of [Bmim][BF4] ionic liquid using connectionist smart paradigms
The burning of fossil fuels produces large amounts of exhaust gases containing carbon
dioxide (CO 2). The emission of CO 2 into the atmosphere is widely known as the leading …
dioxide (CO 2). The emission of CO 2 into the atmosphere is widely known as the leading …
Computational insights into materials and interfaces for capacitive energy storage
Supercapacitors such as electric double‐layer capacitors (EDLCs) and pseudocapacitors
are becoming increasingly important in the field of electrical energy storage. Theoretical …
are becoming increasingly important in the field of electrical energy storage. Theoretical …
The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F−, Br−, I−, Rb+, and Cs+
In this work, an extension of the Madrid-2019 force field is presented. We have added the
cations Rb+ and Cs+ and the anions F−, Br−, and I−. These ions were the remaining alkaline …
cations Rb+ and Cs+ and the anions F−, Br−, and I−. These ions were the remaining alkaline …
Simulating supercapacitors: can we model electrodes as constant charge surfaces?
Supercapacitors based on an ionic liquid electrolyte and graphite or nanoporous carbon
electrodes are simulated using molecular dynamics. We compare a simplified electrode …
electrodes are simulated using molecular dynamics. We compare a simplified electrode …
Comparing reduced partial charge models with polarizable simulations of ionic liquids
C Schröder - Physical Chemistry Chemical Physics, 2012 - pubs.rsc.org
Molecular ionic liquids are typically characterized by strong electrostatic interactions
resulting in a charge ordering and retardation of their translational and rotational behaviour …
resulting in a charge ordering and retardation of their translational and rotational behaviour …