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

نویسندگان

چکیده

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

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ژورنال

عنوان ژورنال: Physics of Fluids

سال: 2021

ISSN: ['1527-2435', '1089-7666', '1070-6631']

DOI: https://doi.org/10.1063/5.0055344