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Determining apparent kinetics for catalyst pellets using particle-resolved computational fluid dynamics
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DOI：10.1002/aic.70314.png)
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Abstract
En 中文
Conventional methods for determining apparent kinetics for fixed-bed reactor design require experiments under ideal flow conditions and with negligible external diffusion limitation, which are costly and inconvenient. This study proposes a new method for determining the apparent kinetics based on particle-resolved computational fluid dynamics (PRCFD) that can resolve the influence of inter-particle transfer. Using PRCFD allows kinetic measurements in fixed-bed reactors with minimal catalyst (down to a single pellet) loading and small gas velocity. Au/TS-1 catalyst pellets for propylene epoxidation are used to evaluate this method. The results show that this method can yield reliable apparent kinetics. PRCFD-based quantification confirms that non-ideal flow and transport limitations are significant, necessitating PRCFD for accurate determination of apparent kinetics. A comparison reveals that the material cost of this method can be three orders of magnitude lower than that of a conventional method at the expense of an increased but acceptable computational cost.
Keywords:
apparent kinetics
catalyst pellet
non-ideal flow
PRCFD
propylene epoxidation
Journal
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4
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