Optimization of One-parameter Family of Integration Formulae for Solving Stiff Chemical-kinetic ODEs

Abstract

A fast and robust Jacobian-free time-integration method - called Minimum-error Adaptation of a Chemical-Kinetic ODE Solver (MACKS) - for solving stiff ODEs pertaining to chemical-kinetics is proposed herein. The MACKS formulation is based on optimization of the one-parameter family of integration formulae coupled with a dual time-stepping method to facilitate error minimization. The proposed method demonstrates higher accuracy compared to the method - Extended Robustness-enhanced numerical algorithm (ERENA) - previously proposed by the authors. Additionally, when this method is employed in homogeneous-ignition simulations, it facilitates realization of faster performance compared to the Variable-coefficient ODE solver (VODE).