Baseline case100 µm · 800 °C · pure H₂ · 1 atm, including gas transport through the product layers.
Inside the particle
Central cross-section · fixed outer radius
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Conversion history
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0 minDrag to inspect the particle24 min
Phase volumes
Fractions of the total particle volume
r₁ / Rₚ = 1.000r₂ / Rₚ = 1.000r₃ / Rₚ = 1.000
Model inputs and numerical checks
Inputs: 100 µm particle, 800 °C, 1 atm, pure H₂, initial porosity 0.10, tortuosity 6.3 and 12 nm pores in each product layer. The run continues to 99.5% oxygen removal.
This run uses the full model, with gas transport through the product layers and the three moving reaction fronts. Its equations were integrated in Python with a stiff BDF solver at a relative tolerance of 10⁻⁷.
Oxygen is conserved to within 3.5 × 10⁻⁷ of the initial inventory, and a single-front case matches the analytical solution to a relative time error of 2.4 × 10⁻⁷. Some equilibrium and gas-transport inputs are provisional, so the times shown are indicative.