TY - JOUR

T1 - Deactivation of the preferential oxidation of CO in packed bed reactor by 3D modelling and near-infrared tomography

AU - Alzahrani, Faris

AU - Rusi, Hao

AU - Assabumrungrat, Suttichai

AU - Fernandes, Daniel Luis Abreu

AU - Aiouache, Farid

N1 - This is the author’s version of a work that was accepted for publication in Chemical Engineering Journal. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Engineering Journal, 378, 2019 DOI: 10.1016/j.cej.2019.122082

PY - 2019/12/15

Y1 - 2019/12/15

N2 - Scaling up the results on catalyst deactivation to industrial operations, where transport phenomena are of significance, is often not straightforward. The operations of industrial reactors are judiciously focused on the dynamics of the deactivation along the axial length of the reactors, which are generally known approximately. Processes of strong energy release or fast chemical kinetics, such as oxidation reactions, cracking, etc., are associated with a deactivation where the time characteristics of the flow and transports are of magnitudes of the deactivation time-on-stream. Local deactivation of the preferential oxidation of CO was investigated by three-dimensional modelling of flow, mass and heat transfers inside a packed-bed reactor and validated by near-infrared tomography. The profiles of deactivation were sensitive to the rates of deactivation, heat transfer by dispersion and intra-particle mass transfer. At pore scale of the packing, pronounced deactivation was revealed near the wall due to a preferential flow circulation. The deactivation progressed at the exteriors of the catalytic particles, particularly over the regions in contact with the convective flow. Unlike the mass dispersion, the heat dispersion promoted the deactivation by shifting the moving waves of deactivation upstream, leading to asymmetrical maps inside the catalytic particles.

AB - Scaling up the results on catalyst deactivation to industrial operations, where transport phenomena are of significance, is often not straightforward. The operations of industrial reactors are judiciously focused on the dynamics of the deactivation along the axial length of the reactors, which are generally known approximately. Processes of strong energy release or fast chemical kinetics, such as oxidation reactions, cracking, etc., are associated with a deactivation where the time characteristics of the flow and transports are of magnitudes of the deactivation time-on-stream. Local deactivation of the preferential oxidation of CO was investigated by three-dimensional modelling of flow, mass and heat transfers inside a packed-bed reactor and validated by near-infrared tomography. The profiles of deactivation were sensitive to the rates of deactivation, heat transfer by dispersion and intra-particle mass transfer. At pore scale of the packing, pronounced deactivation was revealed near the wall due to a preferential flow circulation. The deactivation progressed at the exteriors of the catalytic particles, particularly over the regions in contact with the convective flow. Unlike the mass dispersion, the heat dispersion promoted the deactivation by shifting the moving waves of deactivation upstream, leading to asymmetrical maps inside the catalytic particles.

U2 - 10.1016/j.cej.2019.122082

DO - 10.1016/j.cej.2019.122082

M3 - Journal article

VL - 378

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

SN - 1385-8947

M1 - 122082

ER -