473077 Study of Adsorptive Reactor (AR): Dynamic Multi-Scale (Catalyst /Adsorbent/Reactor Scale) Modeling and Simulation
Catalyst-adsorbent configurations with fixed-bed columns can be employed as an Adsorptive Reactor (AR) for simultaneous reaction and separation. This study presents Dynamic Multi-Scale (Catalyst /Adsorbent/Reactor Scale) Adsorptive Reactor Modeling and Simulation. First, a single-catalyst pellet isothermal/non-isothermal dynamic and a single-adsorbent pellet isothermal/non -isothermal dynamic simulations are performed. Then, these pellets are coupled with an isothermal/non-isothermal dynamic packed-bed reactor model to form a hybrid multi-scale Adsorptive Reactor (AR) model. The catalyst/adsorbent pellets simulation is repeatedly carried out along the reactor bed length and is coupled with a reactor model that captures species transport/reaction along the reactor length. The velocity and species’ concentration profiles along the Adsorptive Reactor length are captured by momentum/species transport models accounting for convection/reaction /diffusion mechanisms. In the derivation of the model’s equations, the Reynolds Transport Theorem was applied separately to each of the domains; the catalyst pellet’s domain, the adsorbent pellet’s domain and the adsorptive reactor’s domain.
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