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CFD- and radiation field modeling of a gas phase photocatalytic multi-tube reactor
Chemical Engineering Journal ( IF 15.1 ) Pub Date : 2018-01-08 , DOI: 10.1016/j.cej.2018.01.047
Jelle Roegiers , Jeroen van Walsem , Siegfried Denys

This paper focusses on the development of a Multiphysics model as a tool for assessing the performance of a multi-tube photoreactor. The model predicts the transient behavior of acetaldehyde concentration, as a model compound for the organic fraction of the indoor air pollutants, under varying sets of conditions. A 3D-model couples radiation field modeling with reaction kinetics and fluid dynamics in order to simulate the transport of the pollutant as it progresses through the reactor. A model-based approach is proposed to determine the layer thickness and refractive index of different P25-powder modified sol–gel coatings, using an optimization procedure to estimate these parameters based on UV-irradiance measurements. The radiation field model was able to accurately predict the irradiance on the catalytic surface within the reactor. Consequently, the radiation field model was used to define an irradiance dependent reaction rate constant in a coupled Multiphysics model. An optimization routine was deployed to estimate the adsorption, desorption- and photocatalytic reaction rate constants on the TiO2-surface, using experimentally determined, transient outlet concentrations of acetaldehyde. Additionally, a validation test was performed in an air-tight climate chamber at much higher flow rates, higher irradiance and realistic indoor pollutant concentrations to emphasize the reliability and accuracy of the parameters for adsorption, desorption and photocatalytic reaction. The developed model makes it possible to optimize the reactor design and scale-up for commercial applications.



中文翻译:

气相光催化多管反应器的CFD和辐射场建模

本文着重于开发多物理场模型作为评估多管光反应器性能的工具。该模型预测了在不同条件下作为室内空气污染物有机成分的模型化合物乙醛浓度的瞬态行为。3D模型将辐射场建模与反应动力学和流体动力学相结合,以便模拟污染物在通过反应器时的传输。提出了一种基于模型的方法来确定不同的P25粉末改性溶胶-凝胶涂层的层厚度和折射率,并使用优化程序根据紫外线辐照度测量值估算这些参数。辐射场模型能够准确预测反应器内催化表面的辐照度。所以,在耦合多物理场模型中,使用辐射场模型定义依赖于辐照度的反应速率常数。部署了优化程序以估算TiO2上的吸附,解吸和光催化反应速率常数使用实验确定的2-表面瞬时乙醛出口浓度。此外,在气密性气候室内以更高的流速,更高的辐照度和实际的室内污染物浓度进行了验证测试,以强调吸附,解吸和光催化反应参数的可靠性和准确性。开发的模型使优化反应器设计和扩大规模用于商业应用成为可能。

更新日期:2018-01-08
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