Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation.
The result's identifiers
Result code in 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>
Alternative codes found
RIV/44555601:13440/21:43896484
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation.
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physics of Fluids
ISSN
1070-6631
e-ISSN
1089-7666
Volume of the periodical
33
Issue of the periodical within the volume
7
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
073106
UT code for WoS article
000691864900005
EID of the result in the Scopus database
2-s2.0-85110024078