A semi-implicit numerical scheme for reacting flow: II. stiff, operator-split formulation
Journal of Computational Physics
Proceedings of the on Numerical methods for differential equations
An analysis of operator splitting techniques in the stiff case
Journal of Computational Physics
Adaptive low Mach number simulations of nuclear flame microphysics
Journal of Computational Physics
Studies of the accuracy of time integration methods for reaction-diffusion equations
Journal of Computational Physics
Accelerating moderately stiff chemical kinetics in reactive-flow simulations using GPUs
Journal of Computational Physics
Dynamic adaptive chemistry with operator splitting schemes for reactive flow simulations
Journal of Computational Physics
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We consider the numerical time integration of a class of reaction-transport systems that are described by a set of ordinary differential equations for primary variables. In the governing equations, the terms involved may require the knowledge of secondary variables, which are functions of the primary variables. Specifically, we consider the case where, given the primary variables, the evaluation of the secondary variables is computationally expensive. To solve this class of reaction-transport equations, we develop and demonstrate several computationally efficient splitting schemes, wherein the portions of the governing equations containing chemical reaction terms are separated from those parts containing the transport terms. A computationally efficient solution to the transport sub-step is achieved through the use of linearization or predictor-corrector methods. The splitting schemes are applied to the reactive flow in a continuously stirred tank reactor (CSTR) with the Davis-Skodjie reaction model, to the CO+H"2 oxidation in a CSTR with detailed chemical kinetics, and to a reaction-diffusion system with an extension of the Oregonator model of the Belousov-Zhabotinsky reaction. As demonstrated in the test problems, the proposed splitting schemes, which yield efficient solutions to the transport sub-step, achieve second-order accuracy in time.