The treatment of reacting surfaces for finite-volume schemes on unstructured meshes (Q5956025)

A rigorous and robust numerical procedure to treat surface reaction boundary conditions for finite-volume schemes in unstructured meshes is presented. The procedure is applicable to arbitrary cell topologies and multistep finite-rate surface reactions of arbitrary complexity. The accuracy of the numerical procedure has been verified by systematically comparing solutions obtained using unstructured meshes with perfectly orthogonal meshes for both two-dimensional and three-dimensional geometries. Validation results presented for gallium arsenide growth in a full-scale commercial metal organic-chemical vapor-deposition reactor, exhibit excellent match with experimental data.