Szczegóły publikacji

Opis bibliograficzny

Matching macroscopic properties of binary fluids to the interactions of dissipative particle dynamics / Witold DZWINEL, David A. Yuen // International Journal of Modern Physics. C ; ISSN 0129-1831. — 2000 — vol. 11 no. 1, s. 1–25. — Bibliogr. s. 24–25


Autorzy (2)


Słowa kluczowe

phase separationcomputer simulationsdissipative particle dynamicsparticle interactions

Dane bibliometryczne

ID BaDAP4960
Data dodania do BaDAP2001-05-25
DOI10.1142/S012918310000002X
Rok publikacji2000
Typ publikacjiartykuł w czasopiśmie
Otwarty dostęptak
Czasopismo/seriaInternational Journal of Modern Physics, C

Abstract

We investigate the role played by conservative forces in dissipative particle dynamics (DPD) simulation of single-component, and binary fluids. We employ equations from kinetic theory for matching the coefficients of DPD interparticle force to the macroscopic properties of fluid such as: density, temperature, diffusion coefficient, kinematic viscosity and sound velocity The sound velocity c is coupled with scaling factor pi(1) of conservative component of the DFD collision operator. Its value sets up an upper limit on the mass S of a single particle in DPD fluid. The Kirkwood-Alder fluid-solid transition is observed for a sufficiently large S. We emphasize the role of the scaling factor pi(12) for particles of different types in simulating phase separation in binary fluids. The temporal growth of average domain size R(t) in the phase separation process depends on the value of immiscibility coefficient Delta = pi(12) - pi(1). For small immiscibility, R(t) proportional to t(beta), where beta approximate to 1/2 for R(t) < R-H and beta approximate to 2/3 for R(t) > R-H, R-H is the hydrodynamic length. Finally, both phases separate out completely. For larger immiscibility, R(t) increases exponentially at the beginning of simulation, while finally the domain growth process becomes marginal. We also observe the creation of emulsion-like structures. This effect results from an increase of the surface tension on the two-phase interface along with increasing immiscibility.

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artykuł
Mesoscopic dynamics of colloids simulated with dissipative particle dynamics and fluid particle model / Witold DZWINEL, David A. Yuen, Krzysztof BORYCZKO // Journal of Molecular Modeling ; ISSN 1610-2940. — 2002 — vol. 8 iss. 1, s. 33–43. — Bibliogr. s. 43, Abstr. — Publikacja dostępna online od: 2002-01-31
książka
Matching macroscopic properties of binary fluids to the interactions of dissipative particle dynamics : UMSI 99/151 September 1999 : research report / Witold DZWINEL, David A. Yuen ; University of Minnesota Supercomputing Institute for Digital Simulation and Advanced Computation. — Washington : University of Minnesota, 1999. — 18, [11] s. — Bibliogr. s. 16–18, Abstr.