Particle dynamics modeling methods for colloid suspensions

Abstract

We present a review and critique of several methods for the simulation of the dynamics of colloidal suspensions at the mesoscale. We focus particularly on simulation techniques for hydrodynamic interactions, including implicit solvents (Fast Lubrication Dynamics, an approximation to Stokesian Dynamics) and explicit/particle-based solvents (Multi-Particle Collision Dynamics and Dissipative Particle Dynamics). Several variants of each method are compared quantitatively for the canonical system of monodisperse hard spheres, with a particular focus on diffusion characteristics, as well as shear rheology and microstructure. In all cases, we attempt to match the relevant properties of a well-characterized solvent, which turns out to be challenging for the explicit solvent models. Reasonable quantitative agreement is observed among all methods, but overall the Fast Lubrication Dynamics technique shows the best accuracy and performance. We also devote significant discussion to the extension of these methods to more complex situations of interest in industrial applications, including models for non-Newtonian solvent rheology, non-spherical particles, drying and curing of solvent and flows in complex geometries. This work identifies research challenges and motivates future efforts to develop techniques for quantitative, predictive simulations of industrially relevant colloidal suspension processes.

DLS and zeta potential – What they are and what they are not?

“…While the movement of the particles in colloidal dispersion is random and translational, the particles also rotate very fast [40]. The inter-particular interactions are also important as with increasing concentration, the number of collisions within particles increases while the average pathlength traversed by the particles between successive collisions falls [41].…”

On the thermal response of a surface deposited laser-irradiated powder particle

“…We refer the reader to Duran [28], Pö schel and Schwager [29], Onate et al [30][31][32], Rojek et al [33,34], Carbonell et al [35], Labra and Onate [36], Leonardi et al [37], Cante et al [38], Bolintineanu et al [39], Avci and Wriggers [40] and Zohdi [41][42][43][44][45][46][47][48][49][50][51] for more computationallyoriented techniques aligned with manufacturing processes involving particles.…”

Rapid Generation of Particle Packs at High Packing Ratios for DEM Simulations of Granular Compacts

“…They are important in the simulation of a myriad of systems such as (but not limited to) colloids (Bolintineanu et al, 2014), crystals (Tan et al, 2009), polymers (Kroupa et al, 2012), powders (David et al, 2007), particulate flows (Kamrin and Koval, 2014) and granular materials (Xu and Chen, 2013). Packs of "hard" particles are defined as arrangements of particles within a given bulk volume wherein no two particles overlap.…”