title: Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent.
abstract: We present an approach to determine macroscopic transport coefficients of a dissipative particle dynamics (DPD) solvent. Shear viscosity, isothermal speed of sound, and bulk viscosity result from DPD-model input parameters and can be determined only a posteriori. For this reason approximate predictions of these quantities are desirable in order to set appropriate DPD input parameters. For the purpose of deriving an improved approximate prediction we analyze the autocorrelation of shear and longitudinal modes in Fourier space of a DPD solvent for Kolmogorov flow. We propose a fitting function with nonexponential properties which gives a good approximation to these autocorrelation functions. Given this fitting function we improve significantly the capability of a priori determination of macroscopic solvent transport coefficients in comparison to previously used exponential fitting functions.
authors: Institute of Aerodynamics and Fluid Mechanics, Technische Universität München, Garching, Germany.
authors: Dmitrii
authors: D
authors: Azarnykh
authors: Chair for Computational Science, Eidgenössische Technische Hochschule Zürich, Zurich, Switzerland.
authors: Sergey
authors: S
authors: Litvinov
authors: Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA.
authors: Xin
authors: X
authors: Bian
authors: Institute of Aerodynamics and Fluid Mechanics, Technische Universität München, Garching, Germany.
authors: Nikolaus A
authors: NA
authors: Adams