HR: 0830h
AN: H11G-0925    [PDF]
TI: Stochastic boundary conditions to the convection-diffusion equation including chemical reactions at solid surfaces
AU: * Szymczak, P
EM: pszymczak@che.ufl.edu
AF: Chemical Engineering Department, University of Florida PO Box 116005, Gainesville, FL 32611-6005 United States
AU: Ladd, T
EM: ladd@che.ufl.edu
AF: Chemical Engineering Department, University of Florida PO Box 116005, Gainesville, FL 32611-6005 United States
AB: Simulations of surface chemical reactions may require complex non-linear boundary conditions to describe the flow of mass across an interface. Although stochastic methods do not suffer from the numerical diffusion that plagues grid-based methods, they typically lose accuracy in the vicinity of interfacial boundaries. We introduce new ideas and algorithms to account for mass transfer at reactive surfaces, 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.
DE: 1869 Stochastic processes
DE: 3230 Numerical solutions
SC: Hydrology [H]
MN: 2003 Fall Meeting