Assessment of multiple environmental factors on the adsorptive and photocatalytic removal of gaseous formaldehyde by a nano-TiO2 colloid: Experimental and simulation studies.

Abstract Environmental factors affecting the photocatalytic oxidation of volatile organic compounds (VOCs) have previously been studied experimentally, but there are few theoretical studies, especially those on surface intermolecular forces. Because of this, it is unclear how multiple coexisting factors impact photocatalytic processes. Herein, comprehensive multi-factorial impact mechanisms of the photocatalytic oxidation of formaldehyde were assessed using experiments and density functional theory simulations. The influence of humidity, concentration, and intermediate formate was investigated using a nano-TiO2 colloid, followed by adsorption and photocatalytic simulations. The maximum photocatalytic reaction rate and degradation efficiency occurred at 50% humidity due to the initially enhanced and then weakened adsorption and photocatalysis of formaldehyde. This stemmed from the increased number of water molecules and the narrower TiO2 band gap at low humidities, as well as the competitive adsorption between formaldehyde and excess water molecules at high humidities. Upon increasing the formaldehyde concentration, its photocatalytic oxidation rate increased due to enhanced adsorption, but weakened photocatalysis decreased the photocatalytic efficiency. The intermediate formate enhanced the adsorption and inhibited photocatalysis and did not significantly change the photocatalytic oxidation rate of formaldehyde upon changing the irradiation time. These findings provide guidance for the photocatalytic oxidation of VOCs produced by industrial air pollution.