[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 …

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 …

Molecular modeling of the interface of an egg yolk protein-based emulsion

M Ferrari, JW Handgraaf, G Boccardo, A Buffo… - Physics of …, 2022 - pubs.aip.org
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 …

[HTML][HTML] Application of dissipative particle dynamics to interfacial systems: Parameterization and scaling

M Ferrari, G Boccardo, DL Marchisio, A Buffo - AIP Advances, 2023 - pubs.aip.org
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 …

Transport coefficients from Einstein–Helfand relations using standard and energy-conserving dissipative particle dynamics methods

DC Malaspina, M Lísal, JP Larentzos… - Physical Chemistry …, 2023 - pubs.rsc.org
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 …

Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics

K Šindelka, A Kowalski, M Cooke, C Mendoza… - Journal of Molecular …, 2023 - Elsevier
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 …

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 …

Green–Kubo expressions for transport coefficients from dissipative particle dynamics simulations revisited

DC Malaspina, M Lísal, JP Larentzos… - Physical Chemistry …, 2024 - pubs.rsc.org
This article addresses the debate about the correct application of Green–Kubo expressions
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

N Lauriello, G Boccardo, D Marchisio, M Lísal… - Computer Physics …, 2023 - Elsevier
Dissipative particle dynamics (DPD) is a promising candidate technique for modeling
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

F De Roma, D Marchisio, G Boccardo, M Bouaifi… - Physics of …, 2024 - pubs.aip.org
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 …