Particle Monte Carlo and lattice-Boltzmann methods for simulations of gas-particle flows

A numerical solution concept is presented for simulating the transport and deposition to surfaces of discrete, small (nano-)particles. The motion of single particles is calculated from the Langevin equation by Lagrangian integration under consideration of different forces such as drag force, van der Waals forces, electrical Coulomb forces and not negligible for small particles, under stochastic diffusion (Brownian diffusion). This so-called particle Monte Carlo method enables the computation of macroscopic filter properties as well the detailed resolution of the structure of the deposited particles. The flow force and the external forces depend on solutions of continuum equations. as the Navier-Stokes equations for viscous, incompressible flows or a Laplace equation of the electrical potential. Solutions of the flow and potential fields are computed here using lattice-Boltzmann methods. Essential advantage of these methods are the easy and efficient treatment of three-dimensional complex geometries, given by filter geometries or particle covered surfaces. A number of numerical improvements, as grid refinement or boundary fitting, were developed for lattice-Boltzmann methods in previous studies and applied to the present problem. The interaction between the deposited particle layer and the fluid field or the external forces is included by recomputing of these fields with changed boundaries. A number of simulation results show the influence of different effects on the particle motion and deposition. (c) 2006 Elsevier Ltd. All rights reserved.