Analysis and Application of the Pade' Approximation for the Integration of Chemical Kinetic Equations

Abstract : A stable numerical technique is given for the integration of the fluid flow equations involving finite rate chemical kinetics. The procedure permits a significantly larger integration step than standard procedures, such as Runge-Kutta. Consequently, the amount of digital computer time to numerically integrate the equations over a specified domain is greatly reduced. To simplify the implementation of the numerical procedure for generic chemical systems, a programming system has been developed that automatically generates the necessary subroutines from a few inputs. The extension and application of the numerical method to partial differential equations is also discussed.