Understanding specific ion effects and the Hofmeister series

KP Gregory, GR Elliott, H Robertson, A Kumar… - Physical Chemistry …, 2022 - pubs.rsc.org
Specific ion effects (SIE), encompassing the Hofmeister Series, have been known for more
than 130 years since Hofmeister and Lewith's foundational work. SIEs are ubiquitous and …

Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it

A Härtel - Journal of Physics: Condensed Matter, 2017 - iopscience.iop.org
Ongoing scientific interest is aimed at the properties and structure of electric double layers
(EDLs), which are crucial for capacitive energy storage, water treatment, and energy …

Primitive model electrolytes in the near and far field: Decay lengths from DFT and simulations

P Cats, R Evans, A Härtel, R Van Roij - The Journal of chemical …, 2021 - pubs.aip.org
Inspired by recent experimental observations of anomalously large decay lengths in
concentrated electrolytes, we revisit the Restricted Primitive Model (RPM) for an aqueous …

Anomalous underscreening in the restricted primitive model

A Härtel, M Bültmann, F Coupette - Physical Review Letters, 2023 - APS
Underscreening is a collective term for charge correlations in electrolytes decaying slower
than the Debye length. Anomalous underscreening refers to phenomenology that cannot be …

Correlation length in concentrated electrolytes: Insights from all-atom molecular dynamics simulations

SW Coles, C Park, R Nikam, M Kanduc… - The Journal of …, 2020 - ACS Publications
We study the correlation length of the charge–charge pair correlations in concentrated
electrolyte solutions by means of all-atom, explicit-solvent molecular dynamics simulations …

A multiple decay-length extension of the Debye–Hückel theory: to achieve high accuracy also for concentrated solutions and explain under-screening in dilute …

R Kjellander - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The Poisson–Boltzmann and Debye–Hückel approximations for the pair distributions and
mean electrostatic potential in electrolytes predict that these entities have one single decay …

Permeation across hydrated DPPC lipid bilayers: simulation of the titrable amphiphilic drug valproic acid

J Ulander, ADJ Haymet - Biophysical journal, 2003 - cell.com
Valproic acid is a short branched fatty acid used as an anticonvulsant drug whose
therapeutic action has been proposed to arise from membrane-disordering properties. Static …

Ionic screening in bulk and under confinement

J Zeman, S Kondrat, C Holm - The Journal of Chemical Physics, 2021 - pubs.aip.org
Recent experiments have shown that the repulsive force between atomically flat, like-
charged surfaces confining room-temperature ionic liquids or concentrated electrolytes …

[HTML][HTML] Underscreening and hidden ion structures in large scale simulations of concentrated electrolytes

E Krucker-Velasquez, JW Swan - The Journal of Chemical Physics, 2021 - pubs.aip.org
The electrostatic screening length predicted by Debye–Hückel theory decreases with
increasing ionic strength, but recent experiments have found that the screening length can …

The intimate relationship between the dielectric response and the decay of intermolecular correlations and surface forces in electrolytes

R Kjellander - Soft Matter, 2019 - pubs.rsc.org
A general, exact theory for the decay of interactions between any particles immersed in
electrolytes, including surface forces between macroscopic bodies, is derived in a self …