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[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 …
analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from …
Dissipative particle dynamics for coarse-grained models
T Curk - The Journal of Chemical Physics, 2024 - pubs.aip.org
We develop a computational method based on Dissipative Particle Dynamics (DPD) that
introduces solvent hydrodynamic interactions to coarse-grained models of solutes, such as …
introduces solvent hydrodynamic interactions to coarse-grained models of solutes, such as …
Molecular modeling of the interface of an egg yolk protein-based emulsion
Many food emulsions are stabilized by functional egg yolk biomolecules, which act as
surfactants at the oil/water interface. Detailed experimental studies on egg yolk emulsifying …
surfactants at the oil/water interface. Detailed experimental studies on egg yolk emulsifying …
[HTML][HTML] Application of dissipative particle dynamics to interfacial systems: Parameterization and scaling
Dissipative Particle Dynamics (DPD) is a stochastic particle model that is able to simulate
larger systems over longer time scales than atomistic modeling approaches by including the …
larger systems over longer time scales than atomistic modeling approaches by including the …
Transport coefficients from Einstein–Helfand relations using standard and energy-conserving dissipative particle dynamics methods
In this article we demonstrate that contrary to general belief, the standard Einstein–Helfand
(EH) formulas are valid for the evaluation of transport coefficients of systems containing …
(EH) formulas are valid for the evaluation of transport coefficients of systems containing …
Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics
Fatty alcohols (C n FAs) combined with cationic surfactants are common ingredients of
lamellar-phase personal care liquids. We employ mesoscopic modelling to study. how …
lamellar-phase personal care liquids. We employ mesoscopic modelling to study. how …
Study on a mesoscopic model of droplets freezing considering the recalescence process
C Wang, X Wu, P Hao, F He, X Zhang - Physics of Fluids, 2021 - pubs.aip.org
There are many practical applications of droplets freezing, and in many cases, it is
necessary to prevent the droplets freezing to reduce the loss caused by freezing. Based on …
necessary to prevent the droplets freezing to reduce the loss caused by freezing. Based on …
Green–Kubo expressions for transport coefficients from dissipative particle dynamics simulations revisited
This article addresses the debate about the correct application of Green–Kubo expressions
for transport coefficients from dissipative particle dynamics simulations. We demonstrate that …
for transport coefficients from dissipative particle dynamics simulations. We demonstrate that …
Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: Application to simple fluids
Dissipative particle dynamics (DPD) is a promising candidate technique for modeling
rheological properties of soft matter systems. However, several methodological issues inhibit …
rheological properties of soft matter systems. However, several methodological issues inhibit …
Application of a multiscale approach for modeling the rheology of complex fluids in industrial mixing equipment
Many industrial sectors, like the personal care one, make wide use of mixing processes that
involve complex fluids. However, modeling the rheology of these fluids is still challenging …
involve complex fluids. However, modeling the rheology of these fluids is still challenging …