Oxide–and silicate–water interfaces and their roles in technology and the environment

JL Bañuelos, E Borguet, GE Brown Jr… - Chemical …, 2023 - ACS Publications
Interfacial reactions drive all elemental cycling on Earth and play pivotal roles in human
activities such as agriculture, water purification, energy production and storage …

Flow line of density functional theory in heterogeneous persulfate-based advanced oxidation processes for pollutant degradation: A review

B Jing, J Li, C Nie, J Zhou, D Li, Z Ao - Critical Reviews in …, 2023 - Taylor & Francis
Persulfate-based advanced oxidation processes (P-AOPs), as the commonly used
technologies, attract intensive attention, because persulfate is stable and safe with various …

Ions tune interfacial water structure and modulate hydrophobic interactions at silica surfaces

A Tuladhar, S Dewan, S Pezzotti… - Journal of the …, 2020 - ACS Publications
The structure and ultrafast dynamics of the electric double layer (EDL) are central to
chemical reactivity and physical properties at solid/aqueous interfaces. While the Gouy …

Understanding the flocculation mechanism of quartz and kaolinite with polyacrylamide in seawater: A molecular dynamics approach

GR Quezada, M Jeldres, N Toro, P Robles… - Colloids and Surfaces A …, 2021 - Elsevier
The scarcity of water resources for mining activities drives the search for new low-quality
water sources such as well-water and seawater. Seawater was found to be a promising …

Stern and diffuse layer interactions during ionic strength cycling

E Ma, J Kim, HB Chang, PE Ohno… - The Journal of …, 2021 - ACS Publications
Second harmonic generation amplitude and phase measurements are acquired in real time
from fused silica: water interfaces that are subjected to ionic strength transitions conducted …

Salt effects on the structure and dynamics of interfacial water on calcite probed by equilibrium molecular dynamics simulations

A Ali, TTB Le, A Striolo, DR Cole - The Journal of Physical …, 2020 - ACS Publications
It is important to understand the properties of interfacial water at mineral surfaces. Since
calcite is one of the most common minerals found in rocks and sedimentary deposits, and …

Second Harmonic Scattering Reveals Ion-Specific Effects at the SiO2 and TiO2 Nanoparticle/Aqueous Interface

M Bischoff, D Biriukov, M Predota… - The Journal of Physical …, 2021 - ACS Publications
Ion-specific effects play a crucial role in controlling the stability of colloidal systems and
regulating interfacial processes. Although mechanistic pictures have been developed to …

Polyacrylamide adsorption on (1 0 1) quartz surfaces in saltwater for a range of pH values by molecular dynamics simulations

GR Quezada, RE Rozas, PG Toledo - Minerals Engineering, 2021 - Elsevier
The adsorption of partially hydrolyzed polyacrylamide (HPAM) on quartz plays a key role in
solid-liquid separation processes that seek to recover water for processing. In this work …

Quantification of Stern Layer Water Molecules, Total Potentials, and Energy Densities at Fused Silica: Water Interfaces for Adsorbed Alkali Chlorides, CTAB, PFOA …

HB Chang, EH Lozier, E Ma… - The Journal of Physical …, 2023 - ACS Publications
We have employed amplitude-and phase-resolved second-harmonic generation
spectroscopy to investigate ion-specific effects of monovalent cations at the fused silica …

Adsorption of singly charged ions at the hydroxylated (0001) α-quartz/water interface

M Pfeiffer-Laplaud, MP Gaigeot - The Journal of Physical …, 2016 - ACS Publications
Individual alkali (Na+, K+) and halide (Cl–, I–) ion effects have been characterized at the
fully hydroxylated (0001) α-quartz water interface by means of ab initio molecular dynamics …