Improving accuracy of coarse grid numerical solution of solid-solid reactions by Taylor series expansion of the reaction term (Q1036437)

Summary: Exothermic solid-solid reactions lead to sharp reaction fronts that cannot be captured by coarse spatial mesh size numerical simulations that are often required for large-scale simulations. We present a coarse-scale formulation with high accuracy by using a Taylor series expansion of the reaction term. Results show that such expansion could adequately maintain the accuracy of fine-scale behavior of a constant pattern reaction front while using a smaller number of numerical grid cells. Results for a one-dimensional solid-solid reacting system reveal reasonable computational time saving. The presented formulation improves our capabilities for conducting fast and accurate numerical simulations of industrial-scale solid-solid reactions.