Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F21%3A00543713" target="_blank" >RIV/67985858:_____/21:00543713 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/21:43896484

Výsledek na webu

<a href="http://hdl.handle.net/11104/0321400" target="_blank" >http://hdl.handle.net/11104/0321400</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/5.0055344" target="_blank" >10.1063/5.0055344</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation.

Popis výsledku v původním jazyce

Dissipative particle dynamics (DPD) is a widely used coarse-grained technique for the simulation of complex fluids. Although the method isncapable of describing the hydrodynamics of any fluid, the common choice of DPD parameters, such as friction coefficient c, dissipative cutoff radius rDc , coarse-graining factor Nm and weighting function exponent s, unrealistically leads to the simulation of liquid water with a low Schmidt number Sc at standard pressure and temperature. In this work we explored the influence of these parameters, finding the set of parameters needed to properly simulate liquid water. Particular attention was devoted to the numerical techniques to calculate the transport properties from equilibrium simulations, especially in the calculation of the viscosity, comparing the most commonly adopted techniques and formulating a recipe that can be used for further investigations.

Název v anglickém jazyce

Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation.

Popis výsledku anglicky

Dissipative particle dynamics (DPD) is a widely used coarse-grained technique for the simulation of complex fluids. Although the method isncapable of describing the hydrodynamics of any fluid, the common choice of DPD parameters, such as friction coefficient c, dissipative cutoff radius rDc , coarse-graining factor Nm and weighting function exponent s, unrealistically leads to the simulation of liquid water with a low Schmidt number Sc at standard pressure and temperature. In this work we explored the influence of these parameters, finding the set of parameters needed to properly simulate liquid water. Particular attention was devoted to the numerical techniques to calculate the transport properties from equilibrium simulations, especially in the calculation of the viscosity, comparing the most commonly adopted techniques and formulating a recipe that can be used for further investigations.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physics of Fluids

ISSN

1070-6631

e-ISSN

1089-7666

Svazek periodika

33

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

073106

Kód UT WoS článku

000691864900005

EID výsledku v databázi Scopus

2-s2.0-85110024078