CFD modeling of transient adsorption/desorption behavior in a gas phase photocatalytic fiber reactor

• Acetaldehyde on TiO2 adsorption parameters are accurately determined by CFD.
• Not only steady-state but also transient adsorption behavior is modeled.
• CFD enables to correct for air displacement effects in reactor and detector.
• Inclusion of aldol surface condensation reaction further improves the model.

We present the use of computational fluid dynamics (CFD) for accurately determining the adsorption parameters of acetaldehyde on photocatalytic fiber filter material, integrated in a continuous flow system. Unlike the traditional analytical analysis based on Langmuir adsorption, not only steady-state situations but also transient phenomena can be accounted for. Air displacement effects in the reactor and gas detection cell are investigated and inherently made part of the model. Incorporation of a surface aldol condensation reaction in the CFD analysis further improves the accuracy of the model which enables to extract precise, intrinsic adsorption parameters for situations in which analytical analysis would otherwise fail.

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