Solvent-induced depletion interactions in multiparticle collision dynamic simulations

Martin Wagner () and Marisol Ripoll
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Martin Wagner: Theoretical Soft-Matter and Biophysics, Institute of Complex Systems, Forschungszentrum Jülich, 52425 Jülich, Germany
Marisol Ripoll: Theoretical Soft-Matter and Biophysics, Institute of Complex Systems, Forschungszentrum Jülich, 52425 Jülich, Germany

International Journal of Modern Physics C (IJMPC), vol. 30, issue 10, 1-13

Abstract: Molecular-dynamics-coupled multiparticle collision dynamic (MPC-MD) simulations have emerged to be an efficient and versatile tool in the description of mesoscale colloidal dynamics. However, the compressibility of the coarse-grained fluid leads to this method being prone to spurious depletion interactions that may dominate the colloidal dynamics. In this paper, we review the existing methodology to deal with these interactions, establish and report depletion measurements, and present a method to avoid artificial depletion in mesoscale simulation methods.

Keywords: Mesoscopic simulations; depletion; multiparticle collision dynamics (MPC); phoresis; hydrodynamics (search for similar items in EconPapers)
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DOI: 10.1142/S0129183119410080

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