A new wall model for slip boundary conditions in dissipative particle dynamics

Abstract

Summary Dissipative particle dynamics (DPD) for modeling complex flows requires proper boundary conditions to simulate the behavior of a wall‐bounded flow. Although most DPD simulations use the no‐slip boundary condition, slip should be considered for a more complete and realistic description of such flows. The present work suggests a new wall model, via a wall‐particle virtual velocity approach, to impose tunable partial‐slip boundary conditions while structuring a modified reflection mechanism to enforce the no‐slip boundary condition. The new wall model is validated through simulating the planar Poiseuille and Couette flows and implemented to investigate the wall slip status affected by the wall virtual velocity.

CO2 Viscosification by Functional Molecules from Mesoscale Simulations

“…32 The setup shown in Figure 2a with the effective wall forces alleviates the need to resort to higher density walls of frozen particles because the DPD beads do not penetrate the walls. 33,34 Known artifacts introduced in the velocity profiles when using the Lees−Edwards (LE) periodic boundary conditions 35 are also avoided. Some of the issues that arise when using the LE method were partially circumvented 36 by setting to zero the dissipative and random DPD forces of the particles that cross the boundaries.…”

“…The velocity profile presented in Figure b, a typical example from our simulations, is characteristic of linear flow, known as the Couette flow . The setup shown in Figure a with the effective wall forces alleviates the need to resort to higher density walls of frozen particles because the DPD beads do not penetrate the walls. , …”

Modeling of Branched Thickening Polymers under Poiseuille Flow Gives Clues as to How to Increase a Solvent’s Viscosity

“…For all of the simulations reported in this work, the value a w = 115.0 (in reduced units) was used, except where stated otherwise. The use of this setup removes the need to resort to higher-density walls of frozen particles because the DPD beads do not penetrate the walls. , Also, artifacts introduced in the velocity profiles when using the Lees–Edwards periodic boundary conditions , are avoided. The featureless walls used here have the extra improvement of having a controllable range, through the z C parameter, helping to reduce the slip length .…”

“…The use of this setup removes the need to resort to higher density walls of frozen particles because the DPD beads do not penetrate the walls [56,57]. Also, artifacts introduced in the velocity profiles when using the Lees−Edwards periodic boundary conditions [58,59] are avoided.…”

Mesoscopic modeling of heptane: A surface tension calculation

“…Above all, the mDPD model development for the flow of bulk hydrocarbons in this work serves as a prerequisite for our follow-on model development for hydrocarbons confined in pore channels. The modeling of hydrocarbon flow in confinement indicates the need for considering integration of robust fluid-solid interaction models [41][42][43] to accurately account for capillary flow [44] and slip flow [45].…”