Propane

Chemical type

• Hydrocarbon fuel
• Alkane

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• Light alkane
• Saturated hydrocarbon feedstock

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Key properties

• Medium-sized fuel molecule with moderate compression levels (q_min^CPU = q_min^acc = 60)
• Similar source term error trends to methane due to shared kinetic mechanisms
• Activates full reaction pathway in C1C3 mechanism, slightly limiting reduction compared to methane
• Combusted in air mixtures with equivalence ratios (φ) from 0.3 to 1.5 and initial temperatures (T₀) from 1200 K to 1800 K

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• Chemically stable C–H bonds
• Requires catalytic activation
• Non-polar molecule

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• Fuel in 0D constant-pressure batch reactor simulations
• Validation of LV framework for handling detailed chemistry
• Employed to evaluate solver performance across lumped and detailed mechanisms
• Used to achieve computational speed-ups (up to 45.4% with detailed mechanisms, average ~2x overall)

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• Feedstock for dehydrogenation reactions
• Precursor for propene production

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Classification by use

• Fuels used in reduced-order combustion modeling
• Chemicals simulated with lumped mechanisms (CRECK C1C3: 111 species, 1998 reactions)
• Chemicals simulated with detailed mechanisms (Aramco V1.3: 251 species, 1537 reactions)
• Substances for comparing latent solver accuracy and efficiency in reacting flows

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• Chemicals used as petrochemical feedstocks
• Chemicals used in alkane dehydrogenation

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1. [Cite 1] A latent variable framework for handling detailed chemistry in reacting flows, Applications in Energy and Combustion Science, Volume 25, March 2026, 100430
2. [Cite 2] The influence of metal/heteroelement in the M-BEA (M = Ga(Ta, Nb), Cr, Zn (Y)) zeolites on their catalytic properties in the PDH-CO2 process, Applied Catalysis O: Open, Volume 209, December 2025, 207081