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Updated: Mar 25, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent
Dmitrii Azarnykh1, Sergey Litvinov2, Xin Bian3
1Institute of Aerodynamics and Fluid Mechanics, Technische Universität München, Garching, Germany.
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.
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