Coupling CFD-DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems.

ABSTRACT: In this work, we propose numerical methodologies to combine detailed microkinetic modeling and Eulerian-Lagrangian methods for the multiscale simulation of fluidized bed reactors. In particular, we couple the hydrodynamics description by computational fluid dynamics and the discrete element method (CFD-DEM) with the detailed surface chemistry by means of microkinetic modeling. The governing equations for the gas phase are solved through a segregated approach. The mass and energy balances for each catalytic particle, instead, are integrated adopting both the coupled and the operator-splitting approaches. To reduce the computational burden associated with the microkinetic description of the surface chemistry, in situ adaptive tabulation (ISAT) is employed together with operator-splitt

SUBMITTER: Uglietti R 

PROVIDER: S-EPMC6333279 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature