Many-body dissipative particle dynamics simulations of micellization of sodium alkyl sulfates

RL Hendrikse, C Amador, MR Wilson - Soft Matter, 2024 - pubs.rsc.org
We present a study of micelle formation in alkyl sulfate surfactants using the simulation
method of many-body dissipative particle dynamics (MDPD). We parametrise our model by …

Dioctyl sodium sulfosuccinate surfactant self-assembly dependency of solvent hydrophilicity: a modelling study

M Vuorte, A Lokka, A Scacchi… - Physical chemistry …, 2023 - pubs.rsc.org
The self-assembly of dioctyl sodium sulfosuccinate (AOT) model surfactant in solvent
environments of differing polarity is examined by means of dissipative particle dynamics …

DPD simulations of anionic surfactant micelles: a critical role for polarisable water models

RL Hendrikse, C Amador, MR Wilson - Soft Matter, 2024 - pubs.rsc.org
We investigate the effects of polarisable water models in dissipative particle dynamics (DPD)
simulations, focussing on the influence these models have on the aggregation behaviour of …

From microemulsion phase diagrams to hydrophilicity and hydration controlled adsorption: a dissipative particle dynamics modelling study of phospholipid assembly …

M Vuorte, M Sammalkorpi - Soft Matter, 2023 - pubs.rsc.org
We explore here the assembly and adsorption response of a ternary bio oil–phospholipid–
water system via dissipative particle dynamics (DPD) simulations. The mesoscale, particle …

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 …

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 …

[HTML][HTML] Anionic surfactant solutions under shear using dissipative particle dynamics

R Hendrikse, A Bayly, P Jimack - The Journal of Chemical Physics, 2023 - pubs.aip.org
We present a dissipative particle dynamics study of surfactant solutions under shear, which
allows us to investigate their rheological properties. We consider a variety of concentrations …