Computational Steering of Cluster Formation in Brownian Suspensions
arXiv:0709.3954 · doi:10.1016/j.camwa.2009.02.018
Abstract
We simulate cluster formation of model colloidal particles interacting via DLVO (Derjaguin, Landau, Vervey, Overbeek) potentials. The interaction potentials can be related to experimental conditions, defined by the pH-value, the salt concentration and the volume fraction of solid particles suspended in water. The system shows different structural properties for different conditions, including cluster formation, a glass-like repulsive structure, or a liquid suspension. Since many simulations are needed to explore the whole parameter space, when investigating the properties of the suspension depending on the experimental conditions, we have developed a steering approach to control a running simulation and to detect interesting transitions from one region in the configuration space to another. The advantages of the steering approach and the restrictions of its applicability due to physical constraints are illustrated by several example cases.
9 pages, 4 figures, submitted to Proceedings of the Fourth International Conference on Mesoscopic Methods in Engineering and Science (ICMMES) 2007 (Munich, Germany), revised version, 2 figures exchanged, some parts rephrased
References in corpus (19)
- Numerical Simulations of Particulate Suspensions via a Discretized Boltzmann Equation Part I. Theoretical Foundation
- Numerical Simulations of Particulate Suspensions via a Discretized Boltzmann Equation Part II. Numerical Results
- Hydrodynamic interactions and Brownian forces in colloidal suspensions: Coarse-graining over time and length-scales
- Dynamics of short polymer chains in solution
- Dynamic regimes of fluids simulated by multiparticle-collision dynamics
- Simulation of Claylike Colloids
- Hydrodynamic and Brownian Fluctuations in Sedimenting Suspensions
- Transport Coefficients for Stochastic Rotation Dynamics in Three Dimensions
- Influence of hydrodynamics on many-particle diffusion in 2D colloidal suspensions
- Steering in computational science: mesoscale modelling and simulation
- Colloidal gelation, percolation and structural arrest
- Sedimentation and Flow Through Porous Media: Simulating Dynamically Coupled Discrete and Continuum Phases
- Shear Viscosity of Clay-like Colloids in Computer Simulations and Experiments
- Structure and equation of state of interaction site models for disc-shaped lamellar colloids
- Depletion potential in colloidal mixtures of hard spheres and platelets
- Transport Phenomena and Structuring in Shear Flow of Suspensions near Solid Walls
- Complex viscosity behavior and cluster formation in attractive colloidal systems
- A Stability Diagram for Dense Suspensions of Model Colloidal Al2O3-Particles in Shear Flow
- Formation and growth of clusters in colloidal suspensions