Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 154, Issue 2, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/5.0037934
Keywords
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Funding
- Collaborative Research Center 910 - Deutsche Forschungsgemeinschaft
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The MPCD method is commonly used in soft matter physics to simulate fluid flow at the micron scale. By modifying collision rules, compressibility of the fluid can be significantly reduced with lower computational costs. Analytical expressions for the equation of state, compressibility, and shear viscosity show good agreement with simulations.
The method of multi-particle collision dynamics (MPCD) and its different implementations are commonly used in the field of soft matter physics to simulate fluid flow at the micron scale. Typically, the coarse-grained fluid particles are described by the equation of state of an ideal gas, and the fluid is rather compressible. This is in contrast to conventional fluids, which are incompressible for velocities much below the speed of sound, and can cause inhomogeneities in density. We propose an algorithm for MPCD with a modified collision rule that results in a non-ideal equation of state and a significantly decreased compressibility. It allows simulations at less computational costs compared to conventional MPCD algorithms. We derive analytic expressions for the equation of state and the corresponding compressibility as well as shear viscosity. They show overall very good agreement with simulations, where we determine the pressure by simulating a quiet bulk fluid and the shear viscosity by simulating a linear shear flow and a Poiseuille flow.
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