Influence of Temperature and Concentration on the Self-Assembly of Nonionic CiEj Surfactants: A Light Scattering Study

P Kroll, J Benke, S Enders, C Brandenbusch… - ACS …, 2022 - ACS Publications
Nonionic poly (ethylene oxide) alkyl ether (CiEj) surfactants self-assemble into aggregates
of various sizes and shapes above their critical micelle concentration (CMC). Knowledge on …

Molecular simulation approaches to the study of thermotropic and lyotropic liquid crystals

MR Wilson, G Yu, TD Potter, M Walker, SJ Gray, J Li… - Crystals, 2022 - mdpi.com
Over the last decade, the availability of computer time, together with new algorithms capable
of exploiting parallel computer architectures, has opened up many possibilities in …

Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics

K Šindelka, A Kowalski, M Cooke, C Mendoza… - Journal of Molecular …, 2023 - Elsevier
Fatty alcohols (C n FAs) combined with cationic surfactants are common ingredients of
lamellar-phase personal care liquids. We employ mesoscopic modelling to study. how …

Can machine learning predict the phase behavior of surfactants?

JCR Thacker, DJ Bray, PB Warren… - The Journal of Physical …, 2023 - ACS Publications
We explore the prediction of surfactant phase behavior using state-of-the-art machine
learning methods, using a data set for twenty-three nonionic surfactants. Most machine …

Rhamnolipid biosurfactants for oil recovery: salt effects on the structural properties investigated by mesoscale simulations

IC Chen, MT Lee - ACS omega, 2022 - ACS Publications
Rhamnolipids (RLs) are biosurfactants produced by Pseudomonas. The biodegradability
and the variety of their functionality make them suitable for environmental remediation and …

A molecular study on the behavior of polyethoxylated alkyl ethers surfactants in a water/n-alkane interface

AM Luz, TJP Dos Santos, GD Barbosa… - Colloids and Surfaces A …, 2022 - Elsevier
Advanced oil recovery in oil/water and water/oil emulsions is a scientific and technological
challenge, and efficient technologies depend on the water/oil interface properties. Due to …

Interactions of Crosslinked Polyacrylic Acid Polyelectrolyte Gels with Nonionic and Ionic Surfactants

A Vishnyakov, R Mao, K Kam, A Potanin… - The Journal of …, 2021 - ACS Publications
The morphology and stability of surfactant-loaded polyelectrolyte gels are of great interest
for a variety of personal care, cosmetic, and pharmaceutical products. However, the …

Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms

J Li, C Amador, MR Wilson - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
All-atom (AA) molecular dynamics (MD) simulations are employed to predict interfacial
tensions (IFT) and surface tensions (ST) of both ionic and non-ionic surfactants. The general …

Coarse-grained simulations of concentration-dependent molecular self-assembly of Polysorbate 80 in water

P Nakate, R Dandekar, AM Ardekani - Physics of Fluids, 2024 - pubs.aip.org
Surfactant molecules are known to self-assemble into micellar structures due to their
amphiphilic nature of interactions with the solvent molecules. This ubiquitous phenomenon …

Quantitative investigation of surfactant monolayer bending tendency at an oil–polar solvent interface using DPD modeling and artificial neural networks

H Ren, B Zhang, H Li, Q Zhang - Soft Matter, 2023 - pubs.rsc.org
The bending tendency of a surfactant monolayer at an interface is critical in determining the
type of emulsion formed and the proximity of the emulsion system to its equilibrium state …