Coupled solution of the species conservation equations using unstructured finite‐volume method

Abstract

AbstractA coupled solver was developed to solve the species conservation equations on an unstructured mesh with implicit spatial as well as species‐to‐species coupling. First, the computational domain was decomposed into sub‐domains comprised of geometrically contiguous cells—a process similar to additive Schwarz decomposition. This was done using the binary spatial partitioning algorithm. Following this step, for each sub‐domain, the discretized equations were developed using the finite‐volume method, and solved using an iterative solver based on Krylov sub‐space iterations, that is, the pre‐conditioned generalized minimum residual solver. Overall (outer) iterations were then performed to treat explicitness at sub‐domain interfaces and nonlinearities in the governing equations. The solver is demonstrated for both two‐dimensional and three‐dimensional geometries for laminar methane–air flame calculations with 6 species and 2 reaction steps, and for catalytic methane–air combustion with 19 species and 24 reaction steps. It was found that the best performance is manifested for sub‐domain size of 2000 cells or more, the exact number depending on the problem at hand. The overall gain in computational efficiency was found to be a factor of 2–5 over the block (coupled) Gauss–Seidel procedure. All calculations were performed on a single processor machine. The largest calculations were performed for about 355 000 cells (4.6 million unknowns) and required 900 MB of peak runtime memory and 19 h of CPU on a single processor. Copyright © 2009 John Wiley & Sons, Ltd.