Adaptation of the in situ adaptive tabulation (ISAT) procedure for efficient computation of surface reactions

In this article, the in situ adaptive tabulation (ISAT) procedure, originally developed [Pope, S. (1997). Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation. Combustion Theory and Modeling, 1, 41–63] for the efficient computation of homogeneous reactions in chemically reacting flows, is adapted for the efficient computation of heterogeneous surface reactions. The main difference between the treatment of homogeneous and heterogeneous reactions is that heterogeneous reaction calculations require solution of a set of nonlinear algebraic equations at boundary faces/nodes, as opposed to the solution of an initial value problem, for which the original ISAT procedure was developed. T p t ( m ©