Dissipative particle dynamics simulations in colloid and Interface science: A review

KP Santo, AV Neimark - Advances in colloid and interface science, 2021 - Elsevier
Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

Comprehensive review of the interfacial behavior of water/oil/surfactant systems using dissipative particle dynamics simulation

M Ahmadi, E Aliabadian, B Liu, X Lei… - Advances in Colloid and …, 2022 - Elsevier
A comprehensive understanding of interfacial behavior in water/oil/surfactant systems is
critical to evaluating the performance of emulsions in various industries, specifically in the oil …

Molecular dynamics simulations of ion-containing polymers using generic coarse-grained models

KH Shen, M Fan, LM Hall - Macromolecules, 2021 - ACS Publications
Molecular dynamics simulations with generic bead–spring models have been instrumental
in revealing the molecular-scale behavior that underlies structure–property relationships of …

Coarse-grained modeling of ion-containing polymers

Z Zhu, X Luo, SJ Paddison - Chemical Reviews, 2022 - ACS Publications
Ion-containing polymers have continued to be an important research focus for several
decades due to their use as an electrolyte in energy storage and conversion devices …

Mesoscale dissipative particle dynamics to investigate oil asphaltenes and sodium naphthenates at the oil− water interface

Y Ruiz-Morales, F Alvarez-Ramírez - Energy & Fuels, 2021 - ACS Publications
The effect of the structure of oil asphaltenes and sodium naphthenates at the oil–water
interface on the reduction of the oil–water interfacial tension and the formation of stable …

Coarse-grain molecular dynamics simulations to investigate the bulk viscosity and critical micelle concentration of the ionic surfactant sodium dodecyl sulfate (SDS) in …

Y Ruiz-Morales, A Romero-Martínez - The Journal of Physical …, 2018 - ACS Publications
The first critical micelle concentration (CMC) of the ionic surfactant sodium dodecyl sulfate
(SDS) in diluted aqueous solution has been determined at room temperature from the …

Multiscale modelling of biopolymers

A Scacchi, M Vuorte, M Sammalkorpi - Advances in Physics: X, 2024 - Taylor & Francis
This review overviews common biopolymer modelling approaches ranging from chemically
specific to highly coarse-grained techniques, along with their application ranges, strengths …

[HTML][HTML] DPD modelling of the self-and co-assembly of polymers and polyelectrolytes in aqueous media: Impact on polymer science

K Procházka, Z Limpouchová, M Štěpánek, K Šindelka… - Polymers, 2022 - mdpi.com
This review article is addressed to a broad community of polymer scientists. We outline and
analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from …

[HTML][HTML] Recent advances in particle-based simulation of surfactants

T Taddese, RL Anderson, DJ Bray… - Current Opinion in Colloid …, 2020 - Elsevier
We review the recent literature on particle-based simulation of surfactants, focusing on key
methodological developments in the areas of surfactant self-assembly, micelle formation …

Micelle formation in alkyl sulfate surfactants using dissipative particle dynamics

RL Anderson, DJ Bray, A Del Regno… - Journal of chemical …, 2018 - ACS Publications
We use dissipative particle dynamics (DPD) to study micelle formation in alkyl sulfate
surfactants, with alkyl chain lengths ranging from 6 to 12 carbon atoms. We extend our …