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 …

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 …

Active learning of constitutive relation from mesoscopic dynamics for macroscopic modeling of non-Newtonian flows

L Zhao, Z Li, B Caswell, J Ouyang… - Journal of Computational …, 2018 - Elsevier
We simulate complex fluids by means of an on-the-fly coupling of the bulk rheology to the
underlying microstructure dynamics. In particular, a continuum model of polymeric fluids is …

Tuning drop motion by chemical chessboard-patterned surfaces: A many-body dissipative particle dynamics study

C Lin, S Chen, L Xiao, Y Liu - Langmuir, 2018 - ACS Publications
Controlling the motion of liquid drops on the solid surface has broad technological
implications. In this study, the many-body dissipative particle dynamics (MDPD) was …

A modified many-body dissipative particle dynamics model for mesoscopic fluid simulation: methodology, calibration, and application for hydrocarbon and water

Q Rao, Y Xia, J Li, J McConnell, J Sutherland… - Molecular …, 2021 - Taylor & Francis
The many-body dissipative particle dynamics (mDPD) is a prominent mesoscopic
multiphase model for fluid transport in mesoconfinement. However, it has been a long …

Mesoscale simulations of quaternary ammonium-tethered triblock copolymers: Effects of the degree of functionalization and styrene content

X Luo, H Liu, C Bae, ME Tuckerman… - The Journal of …, 2020 - ACS Publications
The hydrated morphology of anion-exchange membranes (used in alkaline membrane fuel
cells) is a key aspect in determining their ion conductivity. Herein, we examine the changes …

Insights into waterflooding in hydrocarbon-bearing nanochannels of varying cross sections from mesoscopic multiphase flow simulations

Z Diermyer, Y Xia, J Li - Langmuir, 2023 - ACS Publications
Waterflooding is one of the geotechniques used to recover fuel sources from nanoporous
geological formations. The scientific understanding of the process that involves the …

Droplet sliding: the numerical observation of multiple contact angle hysteresis

Y Wang, J Zhao, D Zhang, M Jian, H Liu, X Zhang - Langmuir, 2019 - ACS Publications
Droplets sliding on surfaces always exhibit an advancing and a receding contact angle.
When exerting different driving forces on the droplet to force it to slide at different velocities …

The viscosity of polyelectrolyte solutions and its dependence on their persistence length, concentration and solvent quality

E Mayoral, JDH Velázquez, AG Goicochea - RSC advances, 2022 - pubs.rsc.org
In this work, a comprehensive study of the influence on shear viscosity of polyelectrolyte
concentration, persistence length, salt concentration and solvent quality is reported, using …

Nonlocal flocking dynamics: learning the fractional order of PDEs from particle simulations

Z Mao, Z Li, GE Karniadakis - Communications on Applied Mathematics …, 2019 - Springer
Flocking refers to collective behavior of a large number of interacting entities, where the
interactions between discrete individuals produce collective motion on the large scale. We …