MATCHING MACROSCOPIC PROPERTIES OF BINARY FLUIDS TO THE INTERACTIONS OF DISSIPATIVE PARTICLE DYNAMICS

Witold Dzwinel () and David A. Yuen ()
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Witold Dzwinel: AGH Institute of Computer Science, Al.Mickiewicza 30, 30-059 Kraków, Poland
David A. Yuen: Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55415-1227, USA

International Journal of Modern Physics C (IJMPC), 2000, vol. 11, issue 01, 1-25

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 velocitycis coupled with scaling factorπ1of conservative component of the DPD collision operator. Its value sets up an upper limit on the massSof a single particle in DPD fluid. The Kirkwood–Alder fluid–solid transition is observed for a sufficiently largeS. We emphasize the role of the scaling factorπ12for particles of different types in simulating phase separation in binary fluids. The temporal growth of average domain sizeR(t)in the phase separation process depends on the value of immiscibility coefficientΔ = π12- π1. For small immiscibility,R (t) ∝ tβ, whereβ ≈ 1/2forR (t) RH,RHis 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.

Keywords: Dissipative Particle Dynamics; Particle Interactions; Phase Separation; Computer Simulations (search for similar items in EconPapers)
Date: 2000
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DOI: 10.1142/S012918310000002X

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