Improving Accuracy of Coarse Grid Numerical Solution of Solid-Solid Reactions by Taylor Series Expansion of the Reaction Term

Abstract EN

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.