A comparative study of flux-limiting methods for numerical simulation of gas–solid reactions with Arrhenius type reaction kinetics

Heterogeneous gas–solid reactions play an important role in a wide variety of engineering problems. Accurate numerical modeling is essential in order to correctly interpret experimental measurements, leading to developing a better understanding and design of industrial scale processes. The exothermic nature of gas–solid reactions results in large concentration and temperature gradients, leading to steep reaction fronts. Such sharp reaction fronts are difficult to capture using traditional numerical schemes unless by means of very fine grid numerical simulations. However, fine grid simulations of gas–solid reactions at large scale are computationally expensive. On the other hand, using coarse grid block simulations leads to excessive front dissipation/smearing and inaccurate results. In this study, we investigate the application of higher-order and flux-limiting methods for numerically modeling one-dimensional coupled heat and mass transfer accompanied with a gas–solid reaction. A comparative study of different numerical schemes is presented. Numerical simulations of gas–solid reactions show that at low grid resolution which is of practical importance Superbee, MC, and van Albada-2 flux limiters are superior as compared to other schemes. Results of this study will find application in numerical modeling of gas–solid reactions with Arrhenius type reaction kinetics involved in various industrial operations.