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 …
methodologies for modeling soft matter systems. Here, we comprehensively review the …
[HTML][HTML] Multiscale computational fluid dynamics
D Drikakis, M Frank, G Tabor - Energies, 2019 - mdpi.com
Computational Fluid Dynamics (CFD) has numerous applications in the field of energy
research, in modelling the basic physics of combustion, multiphase flow and heat transfer; …
research, in modelling the basic physics of combustion, multiphase flow and heat transfer; …
Simulation of asphaltene aggregation through molecular dynamics: Insights and limitations
We report classical atomistic molecular dynamics simulations of four structurally diverse
model asphaltenes, a model resin, and their respective mixtures in toluene or heptane under …
model asphaltenes, a model resin, and their respective mixtures in toluene or heptane under …
Demulsification of crude oil-in-water emulsions driven by graphene oxide nanosheets
J Liu, X Li, W Jia, Z Li, Y Zhao, S Ren - Energy & Fuels, 2015 - ACS Publications
Seeking highly efficient, rapid, universal, and low-cost demulsification materials to break up
the crude/heavy oil-in-water emulsion and emulsified oily wastewater at ambient conditions …
the crude/heavy oil-in-water emulsion and emulsified oily wastewater at ambient conditions …
Molecular dynamics simulation of self-aggregation of asphaltenes at an oil/water interface: formation and destruction of the asphaltene protective film
J Liu, Y Zhao, S Ren - Energy & Fuels, 2015 - ACS Publications
It is well known that asphaltene molecules play a significant role in stabilizing emulsions of
water in crude oil or diluted bitumen solutions. Molecular dynamics simulations were …
water in crude oil or diluted bitumen solutions. Molecular dynamics simulations were …
Coarse-grained molecular simulations to investigate asphaltenes at the oil–water interface
Y Ruiz-Morales, OC Mullins - Energy & Fuels, 2015 - ACS Publications
In the present work, we investigate, by means of theoretical simulation, the preferred
orientation of a model asphaltene molecule at the oil–water interface (monomer). The …
orientation of a model asphaltene molecule at the oil–water interface (monomer). The …
Novel Janus magnetic micro particle synthesis and its applications as a demulsifier for breaking heavy crude oil and water emulsion
This paper focuses on the synthesis of micro scale Poly (methylmethacrylate-acrylic acid-
divinylbenzene) iron oxide Janus magnetic submicronic particles and the investigation of …
divinylbenzene) iron oxide Janus magnetic submicronic particles and the investigation of …
[HTML][HTML] Coarse grained force field for the molecular simulation of natural gases and condensates
The atomistically-detailed molecular modelling of petroleum fluids is challenging, amongst
other aspects, due to the very diverse multicomponent and asymmetric nature of the …
other aspects, due to the very diverse multicomponent and asymmetric nature of the …
Coarse grained modeling of nanostructure and asphaltene aggregation in asphalt binder using dissipative particle dynamics
This study aims to develop coarse grained models of asphalt binders and study
nanostructure and aggregation behavior of asphalt binders using Dissipative Particle …
nanostructure and aggregation behavior of asphalt binders using Dissipative Particle …
A dissipative particle dynamics method for arbitrarily complex geometries
Dissipative particle dynamics (DPD) is an effective Lagrangian method for modeling
complex fluids in the mesoscale regime but so far it has been limited to relatively simple …
complex fluids in the mesoscale regime but so far it has been limited to relatively simple …