Method for analyzing influence of multiple factors on mechanism of TiO2 photocatalytic oxidation of formaldehyde

Abstract

The invention discloses a method for analyzing the influence of multiple factors on the mechanism of TiO2 photocatalytic oxidation of formaldehyde, which adopts density functional theory-based adsorption energy and forbidden band width calculation, photocatalytic reaction mechanism analysis and photocatalytic experiments to study the mechanism that the process of TiO2 photocatalytic oxidation of formaldehyde is influenced by humidity, formaldehyde concentration and intermediate product formic acid formation process. The method comprises the following steps: researching the influence experimentof humidity, concentration and intermediate products on TiO2 photocatalytic oxidation of formaldehyde; simulating adsorption behaviors of water, formaldehyde and formic acid on the surface of TiO2 under the action of different molecular numbers; the influence of multiple factors on the TiO2 energy band structure and state density distribution is simulated, and the formaldehyde photocatalytic reaction mechanism is analyzed. According to the method, a photocatalytic experiment, simulation calculation and theoretical analysis are combined, the influence mechanism of multiple factors on photocatalytic oxidation of formaldehyde by TiO2 is analyzed from the perspectives of adsorption and catalytic reaction in combination with the photocatalytic experiment, and a theoretical basis is laid for practical application of a 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 for simulating water, formaldehyde and formic acid molecules in titanium dioxide (TiO 2 ) The multi-angles of adsorption behavior, photocatalytic behavior and reaction mechanism on the surface of photocatalyst, combined with photocatalytic oxidation experiments, to study the multi-factor effects of humidity, concentration and intermediate products on TiO 2 Effect mechanism of photocatalytic oxidation of formaldehyde. Background technique [0002] The paper industry, leather industry, decoration and construction industries, etc. will release volatile organic compounds (VOCs), among which formaldehyde is one of the typical VOCs, which can cause asthma, poor childbirth, bronchitis and some cancers. Ther...

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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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