Effect of ions on the structure of water: structure making and breaking

Y Marcus - Chemical reviews, 2009 - ACS Publications
Water is a ubiquitous liquid substance in our world and has by all accounts striking
properties that set it aside from other liquids. A monumental collective set of volumes, edited …

Precise and ultrafast molecular sieving through graphene oxide membranes

RK Joshi, P Carbone, FC Wang, VG Kravets, Y Su… - science, 2014 - science.org
Graphene-based materials can have well-defined nanometer pores and can exhibit low
frictional water flow inside them, making their properties of interest for filtration and …

Modeling of activated carbon and multi-scale molecular simulation of its water vapor adsorption: A review

Z Mo, M Li, S Sun, R Zhu, D Zhan, A Li, Y Li… - Journal of …, 2024 - Elsevier
The combination of water vapor, which is ubiquitous, and activated carbons (ACs), the most
common adsorbent, is widely used in several fields, including energy storage …

Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters

IS Joung, TE Cheatham III - The Journal of Physical Chemistry B, 2009 - ACS Publications
The dynamic and energetic properties of the alkali and halide ions were calculated using
molecular dynamics (MD) and free energy simulations with various different water and ion …

Correlations from ion pairing and the Nernst-Einstein equation

A France-Lanord, JC Grossman - Physical review letters, 2019 - APS
We present a new approximation to ionic conductivity well suited to dynamical atomic-scale
simulations, based on the Nernst-Einstein equation. In our approximation, ionic aggregates …

New insight into surface wetting of coal with varying coalification degree: An experimental and molecular dynamics simulation study

R Zhang, Y Xing, Y Xia, J Luo, J Tan, G Rong… - Applied Surface …, 2020 - Elsevier
The surface wettability is an essential factor in coal flotation and varies with the degree of
coalification. Basic understanding of the wetting mechanism of different coal types is a …

Dielectric constant of ionic solutions: A field-theory approach

A Levy, D Andelman, H Orland - Physical review letters, 2012 - APS
We study the variation of the dielectric response of a dielectric liquid (eg water) when a salt
is added to the solution. Employing field-theoretical methods, we expand the Gibbs free …

Molecular insight into water desalination across multilayer graphene oxide membranes

B Chen, H Jiang, X Liu, X Hu - ACS applied materials & interfaces, 2017 - ACS Publications
Transport of ionic solutions through graphene oxide (GO) membranes is a complicated issue
because the complex and tortuous structure inside makes it very hard to clarify. Using …

How is charge transport different in ionic liquids and electrolyte solutions?

HK Kashyap, HVR Annapureddy… - The Journal of …, 2011 - ACS Publications
In this article we show that, analyzed in a barycentric reference frame, the deviation in
conductivity measured directly from impedance experiments with respect to that estimated …

High‐performance aqueous Na–Zn hybrid ion battery boosted by “water‐in‐gel” electrolyte

W Pan, Y Wang, X Zhao, Y Zhao, X Liu… - Advanced Functional …, 2021 - Wiley Online Library
Abstract Aqueous hybrid Na–Zn ion batteries (ASZIBs) are promising for large‐scale energy
storage due to their low cost and potential for high output voltage. However, most ASZIBs …