473077 Study of Adsorptive Reactor (AR): Dynamic Multi-Scale (Catalyst /Adsorbent/Reactor Scale) Modeling and Simulation

Tuesday, November 15, 2016: 4:35 PM
Cyril Magnin III (Parc 55 San Francisco)
Secgin Karagoz, Chemical & Biomolecular Engineering, UCLA, Los Angeles, CA, Vasilios Manousiouthakis, Chemical & Biomolecular Engineering Department,, University of California Los Angeles, Los Angeles, Los Angeles, CA, Theodore Tsotsis, The Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, CA and Jack Lowd, University of California, Los Angeles, Los Angeles, CA

Hybrid configurations of coupling reaction systems with some form of separation systems substantially improve reactant conversion or product selectivity and, for reversible reactions, establish a more favorable reaction equilibrium than that which could be achieved under conventional reactor operation.

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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See more of this Session: Diffusion, Transport and Dynamics in Adsorption Systems
See more of this Group/Topical: Separations Division