Comprehensive reverse flow reactor model for fluid–solid systems

A comprehensive model for a Reverse Flow Reactor was developed and implemented in the present article. The model consists of the combination of mass and energy balance equations written for a fluid–solid packed reactor, where the feed and outlet positions are alternated periodically using dedicated boundary conditions. Several non-idealities were considered, dealing with both the particle and the fluid phases. Different chemical systems were simulated numerically to investigate the behavior of the reverse flow reactor and to determine the optimal operation policy. Intraparticle diffusion resistance allowed to predict concentration gradients in each case, while intraparticle heat transfer was demonstrated to be non-influent. The impact of the main kinetic and heat/mass transfer parameters was checked via a parametric investigation, demonstrating the high flexibility of the model, even predicting harsh operation conditions. The model was tested in the description of data taken from the literature, demonstrating a good descriptive power.