Particle-Based Simulations of Electrophoretic Deposition with Adaptive Physics Models

TL;DR

This paper extends mesoscale particle-based modeling of electrophoretic deposition by introducing adaptive physics models that dynamically modify interparticle interactions, enabling simulation of a broader range of systems with charge transfer and adsorption effects.

Contribution

It presents three novel modifications to standard particle-based EPD models that allow dynamic adjustment of interparticle interactions during deposition.

Findings

Simulated deposits vary significantly with different adaptive physics assumptions.

The new models can capture charge transfer and irreversible adsorption phenomena.

Adaptive models expand the applicability of EPD simulations to diverse systems.

Abstract

This work represents an extension of mesoscale particle-based modeling of electrophoretic deposition (EPD), which has relied exclusively on pairwise interparticle interactions described by Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. With this standard treatment, particles continuously move and interact via excluded volume and electrostatic pair potentials under the influence of external fields throughout the EPD process. The physics imposed by DLVO theory may not be appropriate to describe all systems, considering the vast material, operational, and application space available to EPD. As such, we present three modifications to standard particle-based models, each rooted in the ability to dynamically change interparticle interactions as simulated deposition progresses. This approach allows simulations to capture charge transfer and/or irreversible adsorption based on tunable parameters. We evaluate and compare simulated deposits formed under new physical assumptions, demonstrating the range of systems that these adaptive physics models may capture.