Photocatalytic degradation of ethylene in tubular microreactor coated with thin-film of TiO2: Mathematical modeling with experimental validation and geometry analysis using computational fluid dynamics simulations

• Published in: Chemical engineering research & design Vol. 196; pp. 101 - 117
• Main Authors: da Silva, Jean Constantino Gomes, Alves, José Luiz Francisco, Mumbach, Guilherme Davi, Di Domenico, Michele
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01-08-2023
• Subjects: Computational fluid dynamics; Ethylene; Gas phase; Photocatalytic reactor; Titanium dioxide; Gas phase; Computational fluid dynamics; Photocatalytic reactor; Titanium dioxide; Ethylene
• ISSN: 0263-8762
• DOI: 10.1016/j.cherd.2023.06.036

The study aimed to establish a comprehensive understanding of the photocatalytic process and optimize the reactor design for efficient ethylene regulation to improve the shelf-life of fruits and vegetables. For this, it was performed 2D computational fluid dynamics modeling at two different reactor geometry (conventional cylindric reactor and annular cylindric reactor) using the conservation equations combined with Langmuir-Hinshelwood mechanism. A continuous single-phase multicomponent fluid flow with the reactor surface supported with a thin-film catalyst under UV-A light irradiation was simulated for initial ethylene concentration at 0.479–4.234 × 10−3 molC2H4 m−3 and inlet axial velocity at 0.0085–0.1019 m s−1. In the 2D CFD results, it was observed that the difference in ethylene concentration between the microreactor bulk and surface is only significant for high initial concentrations and axial velocities. Furthermore, it was found that the parabolic conversion profile remains unchanged for lengths greater than 10% of the reactor length across all geometries studied. The variation in reactor diameters resulted in a substantial reduction in ethylene conversion; however, the incorporation of an annular cylinder coated with a catalyst led to an enhancement in conversion rates, with improvements of approximately 28%, 17%, and 6% observed for diameters of 5 mm, 10 mm, and 20 mm, respectively. This reduction in improvement as diameter increase can be attributed to the laminar flow dynamics that impede the diffusion of ethylene molecules from the bulk to the catalytic surface. Consequently, the simulated data highlight the potential of employing a catalyst-doped annular cylinder as a promising strategy to increase ethylene conversion and extend the shelf life of fruits. However, it should be noted that the addition of an annular cylinder, while enhancing conversion, also introduces operational complexities and cost implications due to the significant increase in pressure drop associated with lower diameters.
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•CFD model for ethylene degradation in thin-film TiO2-coated photocatalytic reactor.•Langmuir–Hinshelwood model was used to describe the surface kinetic reaction.•CFD model predicts the experimental results in 1D plug flow model satisfactory.•The 2D CFD results could predict the non-ideal changes in flow profiles.•The proposed model can be used to optimize the reactor geometry in scale-up.