Enrichment at vapour–liquid interfaces of mixtures: Establishing a link between nanoscopic and macroscopic properties

S Stephan, H Hasse - International Reviews in Physical Chemistry, 2020 - Taylor & Francis
Component density profiles at vapour–liquid interfaces of mixtures can exhibit a non-
monotonic behaviour with a maximum that can be many times larger than the densities in …

Adsorption of ionic surfactants at the air-water interface: The gap between theory and experiment

M Peng, AV Nguyen - Advances in colloid and interface science, 2020 - Elsevier
We review the experimental and theoretical results for the adsorption and structure of ionic
surfactants at the air-liquid interface. The results show that ionic surfactants form thick …

From surface tension to molecular distribution: modeling surfactant adsorption at the air–water interface

M Peng, TT Duignan, CV Nguyen, AV Nguyen - Langmuir, 2021 - ACS Publications
Surfactants are centrally important in many scientific and engineering fields and are used for
many purposes such as foaming agents and detergents. However, many challenges remain …

Acetonitrile boosts conductivity of imidazolium ionic liquids

VV Chaban, IV Voroshylova, ON Kalugin… - The Journal of …, 2012 - ACS Publications
We apply a new methodology in the force field generation (Phys. Chem. Chem. Phys. 2011,
13, 7910) to study binary mixtures of five imidazolium-based room-temperature ionic liquids …

Molecular dynamics study of alkyl benzene sulfonate at air/water interface: effect of inorganic salts

T Zhao, G Xu, S Yuan, Y Chen… - The Journal of Physical …, 2010 - ACS Publications
Molecular dynamics simulations have been performed to investigate the effect of inorganic
salts on the structural and dynamic properties of alkyl benzene sulfonate monolayer formed …

Molecular dynamics study of the effect of calcium ions on the monolayer of SDC and SDSn surfactants at the vapor/liquid interface

H Yan, XL Guo, SL Yuan, CB Liu - Langmuir, 2011 - ACS Publications
The effect of Ca2+ ions on the hydration shell of sodium dodecyl carboxylate (SDC) and
sodium dodecyl sulfonate (SDSn) monolayer at vapor/liquid interfaces was studied using …

[HTML][HTML] Spatial organization of the ions at the free surface of imidazolium-based ionic liquids

HT Ugyonka, G Hantal, I Szilágyi, A Idrissi… - Journal of Colloid and …, 2024 - Elsevier
Hypothesis Experimental information on the molecular scale structure of ionic liquid
interfaces is controversial, giving rise to two competing scenarios, namely the double layer …

Quantifying the counterion-specific effect on surfactant adsorption using modeling, simulation, and experiments

M Peng, TT Duignan, AV Nguyen - Langmuir, 2020 - ACS Publications
Ionic surfactants behave differently in the presence of various counterions, which plays an
important role in many scientific and engineering processes. Previous work has shown that …

Contribution of different molecules and moieties to the surface tension in aqueous surfactant solutions

G Hantal, M Sega, G Horvai… - The Journal of Physical …, 2019 - ACS Publications
Amphiphilic surfactants are changing the surface tension of solutions by adsorbing at their
surfaces. In general, however, little is known about the actual distribution of the surface …

Self-assembly of mixed dodecylamine–dodecanol molecules at the air/water interface based on large-scale molecular dynamics

L Wang, N Sun, Z Wang, H Han, Y Yang, R Liu… - Journal of Molecular …, 2019 - Elsevier
Dodecylamine (DDA)–alcohol mixtures have motivated great interest recently due to their
superior performance in industrial processes compared with pure DDA. Self-assembly of …