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 …

Dissipative particle dynamics in soft matter and polymeric applications—A review

E Moeendarbary, TY Ng, M Zangeneh - International Journal of …, 2010 - World Scientific
Computer simulations and in particular mesoscopic simulation techniques such as the
dissipative particle dynamics (DPD) technique, enable researchers to study the complexities …

Surface tension model for surfactant solutions at the critical micelle concentration

SF Burlatsky, VV Atrazhev, DV Dmitriev… - Journal of colloid and …, 2013 - Elsevier
A model for the limiting surface tension of surfactant solutions (surface tension at and above
the critical micelle concentration, cmc) was developed. This model takes advantage of the …

Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants

K Shi, C Lian, Z Bai, S Zhao, H Liu - Chemical Engineering Science, 2015 - Elsevier
A dissipative particle dynamics (DPD) simulation is performed to study the properties of
water/benzene/caprolactam (W/B/CPL) system in the absence or presence of different non …

Meso-and molecular-scale modeling to provide new insights into interfacial and structural properties of hydrocarbon/water/surfactant systems

F Goodarzi, J Kondori, N Rezaei… - Journal of Molecular …, 2019 - Elsevier
Water/oil emulsions become important in pharmaceutical, health, cosmetics, food, and oil
and gas industries. The emulsion stability controls transport phenomena, transport in porous …

Quantification of ostwald ripening in emulsions via coarse-grained simulations

A Khedr, A Striolo - Journal of Chemical Theory and Computation, 2019 - ACS Publications
Ostwald ripening is a diffusional mass transfer process that occurs in polydisperse
emulsions, often with the result of threatening the emulsion stability. In this work, we design …

Investigating anionic surfactant phase diagrams using dissipative particle dynamics: development of a transferable model

SJ Gray, M Walker, R Hendrikse, MR Wilson - Soft Matter, 2023 - pubs.rsc.org
Dissipative particle dynamics (DPD) provides a powerful coarse-grained simulation
technique for the study of a wide range of soft matter systems. Here, we investigate the …

DPD parameters estimation for simultaneously simulating water–oil interfaces and aqueous nonionic surfactants

A Khedr, A Striolo - Journal of chemical theory and computation, 2018 - ACS Publications
The outcome of a coarse-grained simulation within the dissipative particle dynamics
framework strongly depends on the choice of the repulsive parameter between different …

Self–assembly of model surfactants as reverse micelles in nonpolar solvents and their role as interfacial tension modifiers

E Mayoral, JA Arcos-Casarrubias… - Colloids and Surfaces A …, 2021 - Elsevier
The self-assembly of linear surfactants into reverse micelles (RMs) in nonpolar solvents, and
their efficiency in reducing the interfacial tension is studied using dissipative particle …

Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixtures

TD Potter, J Tasche, MR Wilson - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
The performance of three methods for developing new coarse-grained models for molecular
simulation is critically assessed. Two bottom-up approaches are employed: iterative …