Towards an understanding of induced-charge electrokinetics at large applied voltages in concentrated solutions

MZ Bazant, MS Kilic, BD Storey, A Ajdari - Advances in colloid and interface …, 2009 - Elsevier
The venerable theory of electrokinetic phenomena rests on the hypothesis of a dilute
solution of point-like ions in quasi-equilibrium with a weakly charged surface, whose …

Measuring surface charge: Why experimental characterization and molecular modeling should be coupled

R Hartkamp, AL Biance, L Fu, JF Dufrêche… - Current opinion in …, 2018 - Elsevier
Surface charge controls many static and dynamic properties of soft matter and
micro/nanofluidic systems, but its unambiguous measurement forms a challenge. Standard …

Elucidation of the pH-dependent electric double layer structure at the silica/water interface using heterodyne-detected vibrational sum frequency generation …

F Wei, S Urashima, S Nihonyanagi… - Journal of the American …, 2023 - ACS Publications
The silica/water interface is one of the most abundant charged interfaces in natural
environments, and the elucidation of the water structure at the silica/water interface is …

Simulations of the quartz (1011)/water interface: a comparison of classical force fields, ab initio molecular dynamics, and X-ray reflectivity experiments

AA Skelton, P Fenter, JD Kubicki… - The Journal of …, 2011 - ACS Publications
Classical molecular dynamics (CMD) simulations of the (101̅1) surface of quartz interacting
with bulk liquid water are performed using three different classical force fields, Lopes et al …

Elucidating the bimodal acid− base behavior of the water− silica interface from first principles

K Leung, IMB Nielsen, LJ Criscenti - Journal of the American …, 2009 - ACS Publications
Understanding the acid− base behavior of silica surfaces is critical for many nanoscience
and bionano interface applications. Silanol groups (SiOH) on silica surfaces exhibit two …

Molecular origins of the zeta potential

M Předota, ML Machesky, DJ Wesolowski - Langmuir, 2016 - ACS Publications
The zeta potential (ZP) is an oft-reported measure of the macroscopic charge state of solid
surfaces and colloidal particles in contact with solvents. However, the origin of this readily …

Structure of water at charged interfaces: a molecular dynamics study

S Dewan, V Carnevale, A Bankura… - Langmuir, 2014 - ACS Publications
The properties of water molecules located close to an interface deviate significantly from
those observed in the homogeneous bulk liquid. The length scale over which this structural …

[HTML][HTML] Acid-base dissociation mechanisms and energetics at the silica–water interface: An activationless process

BM Lowe, CK Skylaris, NG Green - Journal of colloid and interface science, 2015 - Elsevier
Hypothesis Silanol groups at the silica–water interface determine not only the surface
charge, but also have an important role in the binding of ions and biomolecules. As the pH is …

Molecular Dynamics Simulations of Mineral Surface Wettability by Water Versus CO2: Thin Films, Contact Angles, and Capillary Pressure in a Silica Nanopore

EWH Sun, IC Bourg - The Journal of Physical Chemistry C, 2020 - ACS Publications
The wettability of mineral surfaces is an important property influencing multiphase flow in
soils and sedimentary rocks. In particular, for CO2 abatement technologies that rely on …

Thermodynamics of charge regulation during ion transport through silica nanochannels

CL Ritt, JP de Souza, MG Barsukov, S Yosinski… - ACS …, 2022 - ACS Publications
Ion–surface interactions can alter the properties of nanopores and dictate nanofluidic
transport in engineered and biological systems central to the water–energy nexus. The ion …