1. Novel kinetic modeling of photocatalytic degradation of ethanol and acetaldehyde in air by commercial and reduced ZnO: Effect of oxygen vacancies and humidity.
- Author
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Ranjbari, Alireza, Demeestere, Kristof, Walgraeve, Christophe, Kim, Ki-Hyun, and Heynderickx, Philippe M.
- Subjects
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ACETALDEHYDE , *PHOTODEGRADATION , *ADSORPTION (Chemistry) , *ZINC oxide , *OXIDATION kinetics , *ETHANOL - Abstract
A comprehensive kinetic model has been developed to address the factors and processes governing the photocatalytic removal of gaseous ethanol by using ZnO loaded in a prototype air purifier. This model simultaneously tracks the concentrations of ethanol and acetaldehyde (as its primary oxidation product) in both gas phase and on the catalyst surface. It accounts for reversible adsorption of both compounds to assign kinetic reaction parameters for different degradation pathways. The effects of oxygen vacancies on the catalyst have been validated through the comparative assessment on the catalytic performance of commercial ZnO before and after the reduction pre-treatment (10% H 2 /Ar gas at 500 °C). The influence of humidity has also been assessed by partitioning the concentrations of water molecules across the gas phase and catalyst surface interface. Given the significant impact of adsorption on photocatalytic processes, the beginning phases of all experiments (15 min in the dark) are integrated into the model. Results showcase a notable decrease in the adsorption removal of ethanol and acetaldehyde with an increase in relative humidity from 5% to 75%. The estimated number of active sites, as determined by the model, increases from 7.34 10−6 in commercial ZnO to 8.86 10−6 mol g cat −1 in reduced ZnO. Furthermore, the model predicts that the reaction occurs predominantly on the catalyst surface while only 14% in the gas phase. By using quantum yield calculations, the optimal humidity level for photocatalytic degradation is identified as 25% with the highest quantum yield of 6.98 10−3 (commercial ZnO) and 10.41 10−3 molecules photon−1 (reduced ZnO) catalysts. [Display omitted] • Kinetic modeling of gas-phase degradation of ethanol by prototype air purifier. • Integration of acetaldehyde as by-product of ethanol oxidation in kinetic modeling. • Incorporation of relative humidity in adsorption and degradation of ethanol. • Investigation of optimal relative humidity for enhancement of quantum yield. • Effect of production of oxygen vacancies on ZnO in ethanol degradation. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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