TiO₂ Photocatalysis Simulator: UV-Driven Pollutant Degradation

simulator intermediate ~12 min
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78% degradation after 60 minutes

With 1 g/L TiO₂, 10 mW/cm² UV, and 20 mg/L initial pollutant, approximately 78% degradation occurs in 60 minutes following pseudo-first-order Langmuir-Hinshelwood kinetics.

Formula

r = k_r × K × C / (1 + K × C) — Langmuir-Hinshelwood rate law
C(t) = C₀ × exp(-k_app × t) — pseudo-first-order decay
k_app ∝ I^n × m_cat^α — rate dependence on intensity and loading

Cleaning Water with Light

Titanium dioxide photocatalysis harnesses UV light to destroy organic pollutants in water and air. When TiO₂ nanoparticles absorb UV photons, they generate electron-hole pairs that produce hydroxyl radicals — one of the most powerful oxidizing agents known. These radicals attack organic molecules indiscriminately, breaking them down into harmless CO₂ and water. It is an advanced oxidation process (AOP) increasingly used for water purification and self-cleaning surfaces.

Langmuir-Hinshelwood Kinetics

Photocatalytic degradation follows the Langmuir-Hinshelwood (L-H) model, which accounts for both surface adsorption and reaction. At low pollutant concentrations, the rate is proportional to concentration (pseudo-first-order). At high concentrations, the surface becomes saturated and the rate plateaus. The apparent rate constant depends on UV intensity, catalyst loading, temperature, and the specific pollutant's adsorption affinity for the TiO₂ surface.

Optimizing the Reaction

Several factors control photocatalytic efficiency. UV intensity drives electron-hole pair generation — rate typically scales as I^0.5 at high intensities due to recombination. Catalyst loading increases available surface area but excessive loading creates shielding. pH affects surface charge and pollutant adsorption. Dissolved oxygen acts as an electron acceptor, reducing recombination. This simulator lets you explore these trade-offs and find optimal conditions.

From Lab to Application

TiO₂ photocatalysis has moved from laboratory curiosity to commercial technology. Self-cleaning glass coatings decompose organic grime under sunlight. Photocatalytic concrete reduces urban NOx pollution. Water treatment systems using UV-LED-activated TiO₂ remove pharmaceutical residues that conventional treatment misses. Research now focuses on visible-light-active catalysts — doping TiO₂ with nitrogen or coupling it with narrow-bandgap semiconductors to harness the full solar spectrum.

FAQ

How does TiO₂ photocatalysis work?

When TiO₂ absorbs UV light with energy exceeding its band gap (3.2 eV), an electron is promoted to the conduction band, leaving a hole in the valence band. These electron-hole pairs migrate to the surface where they generate reactive oxygen species (hydroxyl radicals, superoxide) that oxidize organic pollutants to CO₂ and water.

What is the Langmuir-Hinshelwood model?

The L-H model describes heterogeneous photocatalytic kinetics by combining surface adsorption (Langmuir isotherm) with surface reaction. The rate depends on both the adsorption equilibrium constant K and the surface reaction rate k_r: r = k_r × K × C / (1 + K × C). At low concentrations, it simplifies to pseudo-first-order kinetics.

Why is TiO₂ the most common photocatalyst?

TiO₂ (especially anatase phase) is cheap, non-toxic, chemically stable, and has favorable band edge positions for generating hydroxyl radicals. Its main limitation is the wide band gap (3.2 eV) requiring UV light, which has driven research into doped and heterojunction photocatalysts that work under visible light.

What pollutants can photocatalysis degrade?

TiO₂ photocatalysis can degrade a wide range of organic pollutants including dyes, pharmaceuticals, pesticides, and volatile organic compounds. It can also inactivate bacteria and viruses. The hydroxyl radical (OH•) is a non-selective oxidant that attacks virtually any organic molecule.

Sources

Embed

<iframe src="https://homo-deus.com/lab/photochemistry/photocatalysis/embed" width="100%" height="400" frameborder="0"></iframe>
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