Coarse-graining, compressibility, and thermal fluctuation scaling in dissipative particle dynamics employed with pre-determined input parameters

Abstract

In this study a Dissipative Particle Dynamics (DPD) method is employed with its input parameters directly determined from the fluid properties, such as the fluid mass density, water compressibility and viscosity. The investigation of thermal fluctuation scaling requires constant fluid properties, and this proposed DPD version meets this requirement. Its numerical verifications in simple or complex fluids under viscometric or non-viscometric flows indicate that (i) the level of thermal fluctuations in the DPD model for both types of fluids is consistently reduced with increasing in coarse-graining level; and (ii) viscometric or non-viscometric flows of a model fluid at different coarse-graining levels have a similar behaviour. Furthermore, to reduce the compressibility effect of the DPD fluid in simulating incompressible flows, a new simple treatment is presented and shown to be very effective.

Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation

“…In the standard DPD thermostat, as originally introduced 12 , employed in many prior works [22][23][24][25] , the dissipative and random forces act, similarly as the conservative force, along the bead-bead separation distance. However in this work, the extended DPD thermostat, proposed by Junghans and coworkers 18 , was used.…”