Stochastic boundary conditions to the convection-diffusion equation including chemical reactions at solid surfaces.
Simulations of heat and mass transport may require complex nonlinear boundary conditions to describe the flow of mass and energy across an interface. Although stochastic methods do not suffer from the numerical diffusion of grid-based methods, they typically lose accuracy in the vicinity of interfacial boundaries. In this work we introduce ideas and algorithms to account for mass (or energy) transfer at reactive interfaces, with accuracies comparable to the bulk phase. We show how to introduce particles into the system with the correct distribution near the interface, as well as the correct flux through the interface. The algorithms have been tested in a channel flow, for which accurate numerical solutions can be independently calculated.
Szymczak
P
P
Department of Chemical Engineering, University of Florida, Gainesville, Florida 32611-6005, USA.
Ladd
A J C
AJ