Effect of Ca2+ and Mg2+ Ions on Surfactant Solutions Investigated by Molecular Dynamics Simulation

H Yan, SL Yuan, GY Xu, CB Liu - Langmuir, 2010 - ACS Publications
The effect of Ca2+ and Mg2+ on the H-bonding structure around the headgroup of the
surfactants sodium dodecyl sulfate (SDS) and sodium dodecyl sulfonate (SDSn) in solution …

MD simulations of oil-in-water/water-in-oil emulsions during surfactant-steam co-injection in bitumen recovery

M Ahmadi, Z Chen - Fuel, 2022 - Elsevier
Emulsion formation during bitumen production has been observed since the early stages of
its production, resulting in obstacles that need special treatments. Understanding the types …

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 …

Stability and comparative analysis of AOT/water/isooctane reverse micelle system using dynamic light scattering and molecular dynamics

VR Vasquez, BC Williams… - The Journal of Physical …, 2011 - ACS Publications
We use molecular dynamics (MD) and dynamic light scattering (DLS) measurements to
analyze the size of reverse micellar structures in the AOT− water− isooctane system at …

Molecular dynamics study of surfactant monolayers adsorbed at the oil/water and air/water interfaces

J Chanda, S Bandyopadhyay - The Journal of Physical Chemistry …, 2006 - ACS Publications
Atomistic molecular dynamics (MD) simulations have been carried out to investigate the
physical properties of monolayers of monododecyl diethylene glycol (C12E2) surfactants …

Molecular dynamics study of a surfactant monolayer adsorbed at the air/water interface

J Chanda, S Bandyopadhyay - Journal of Chemical Theory and …, 2005 - ACS Publications
A constant volume and temperature (NVT) molecular dynamics (MD) simulation has been
carried out to investigate the properties of a monolayer of monododecyl hexaethylene glycol …

Molecular dynamics simulation insight into interfacial stability and fluidity properties of microemulsions

J Ma, X Song, J Luo, T Zhao, H Yu, B Peng, S Zhao - Langmuir, 2019 - ACS Publications
Although the interfacial properties of microemulsions have been extensively studied in both
experimental and simulation research studies, the molecular mechanisms of stability and …

Molecular dynamics studies on monolayer of cetyltrimethylammonium bromide surfactant formed at the air/water interface

S Yuan, L Ma, X Zhang, L Zheng - Colloids and Surfaces A …, 2006 - Elsevier
An atomistic molecular dynamics (MD) simulation has been carried out to investigate the
structural and dynamic properties of a monolayer of cationic surfactant …

[HTML][HTML] Hydrodynamic instability triggered during thin-film formation by interfacial polymerization

AM Ben-Zvi, GZ Ramon - Physics of Fluids, 2024 - pubs.aip.org
An exothermic reaction at an immiscible liquid–liquid interface is at the core of several
industrial processes and can trigger hydrodynamic instability. Here, we study interfacial …

Hydrogen bond lifetime dynamics at the interface of a surfactant monolayer

J Chanda, S Bandyopadhyay - The Journal of Physical Chemistry …, 2006 - ACS Publications
The dynamics of water near the polar headgroups of surfactants in a monolayer adsorbed at
the air/water interface is likely to play a decisive role in determining the physical behavior of …