An Analysis of Multi-factor Influence tio 2 Mechanism of photocatalytic oxidation of formaldehyde

Abstract

The invention discloses a method for analyzing the influence of multiple factors on TiO 2 Mechanism of photocatalytic oxidation of formaldehyde, using density functional theory based adsorption energy, band gap calculation and photocatalytic reaction mechanism analysis and photocatalytic experiments to study TiO 2 The mechanism by which the photocatalytic oxidation of formaldehyde is affected by humidity, formaldehyde concentration and the formation of intermediate product formic acid. The process is as follows: study the effect of humidity, concentration and intermediate products on TiO 2 Influence experiment of photocatalytic oxidation of formaldehyde; simulated water, formaldehyde and formic acid under the action of different molecular numbers of formaldehyde on TiO 2 Adsorption behavior on surfaces; modeling multi-factor effects on TiO 2 The effect of energy band structure and density of states distribution and the photocatalytic reaction mechanism of formaldehyde were analyzed. The invention combines photocatalytic experiments, simulation calculations and theoretical analysis, from the perspective of adsorption and catalytic reaction, combined with photocatalytic experiments, to analyze the effect of multiple factors on TiO 2 The influence mechanism of photocatalytic oxidation of formaldehyde lays a theoretical foundation for the practical application of photocatalytic oxidation technology.

Description

technical field [0001] The invention relates to the technical field of environmental chemistry, in particular to a method for analyzing the influence of multiple factors on TiO 2 A method for the mechanism of photocatalytic oxidation of formaldehyde, more specifically, a method from Materials Studio software to simulate the presence of water, formaldehyde and formic acid molecules in titanium dioxide (TiO 2 ) The adsorption behavior, photocatalytic behavior and reaction mechanism of the photocatalyst surface from multiple perspectives, combined with photocatalytic oxidation experiments, to study the multi-factors of humidity, concentration and intermediate products on TiO 2 Influence mechanism of photocatalytic oxidation of formaldehyde. Background technique [0002] Volatile organic compounds (VOCs) are released from the paper industry, leather industry, decoration and construction industries, among which formaldehyde is one of the typical VOCs that can cause asthma, poor ...

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Problems solved by technology

[0003] Although the influence of the photocatalytic oxidation of formaldehyde by humidity and concentration changes has been experimentally studied, the mechanism to explain the experimental behavior still needs to be improved through theoretical studies of adsorption and photocatalytic simulations.

At present, many scholars have carried out theoretical research on formaldehyde, but the theory of environmental factors is still lacking.

Our research group previously carried out a single-factor formaldehyde adsorption simulation study without considering the photocatalytic simulation study, in which the single factor only considered the influence of humidity or concentration

In addition, the intermediate product formic acid formed during the photocatalytic oxidation of formaldehyde can also affect the photooxidation behavior.

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