Irreversible reaction

Ammonia oxidation to nitrogen (side reaction)

4NH3+3O2gives2N2+6H2O

Direction
Irreversible
Processes
4
Stated as
Fixed conversion
Element balance
Checked: balances in all 4 processes
As the processes state itStoichiometry, conversions, heats of reaction and catalyst windows are taken from each process's files with their provenance. The build checks only that each process's equation balances in every element, from the process's own component formulas; it does not check the numbers. A process's design maturity applies to them.

Species

SpeciesNameCASRoleCoefficient
NH3Ammonia7664-41-7reactant-4
O2Oxygen7782-44-7reactant-3
N2Nitrogen7727-37-9product2
H2OWater7732-18-5product6

In the processes

  • NH3_COMB4 NH3 + 3 O2 → 2 N2 + 6 H2O

    Scale
    Written at 0.25 times the scale
    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    100 % of NH3 (given: design basis of complete combustion with excess air (owner's decision I-006, 2026-10-30, D-040): US EPA Method 19, 40 CFR Part 60 Appendix A-7, section 12.3.2.1, Eq. 19-13: the F factors count fuel nitrogen as N2 and fuel hydrogen as burnt to water (complete, stoichiometric combustion of the fuel's H, C, S, N and O); Schmitt (AFRC, ark:/87278/s6fc0529, pp. 1-6), as H2_COMB. The NH3 is 0.04 mol% of the furnace fuel (tail gas); the NOx formed from it is not modelled (I-07). Supporting evidence of the earlier S5b basis, kept: Lin et al. (2024), Experimental study on ammonia co-firing with coal for carbon reduction in the boiler of a 300-MW coal-fired power station, Engineering 40, doi:10.1016/j.eng.2024.06.003, abstract: NH3 below 1 ppm at the furnace outlet under all co-firing conditions; the NOx formed from it is not modelled (I-07, D-034). S5b fix r2: closer, still not this duty: Sharma et al. (2024), Flame behavior and emission characteristics of methane and ammonia fueled high-temperature flame in a bench-scale furnace, J. Therm. Sci. Technol. 19(2), 24-00063, doi:10.1299/jtst.24-00063, abstract: a gas-fired furnace on 30 % NH3 / 70 % CH4 (LHV basis), NH3 and N2O hardly detected at the exhaust; bench scale, air preheated to about 1000 C (E-106 preheats to 250 C), excess air not stated in the abstract)
  • NH3_N24 NH3 + 3 O2 → 2 N2 + 6 H2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    0.5969 % of NH3 (assumed: D-005: the remainder 1 - 0.98 - 0.014031 (US 3,110,563 names N2 and N2O as the rest; complete NH3 conversion ASSUMED))
    Catalyst
    Pt/Rh gauze
  • NH3_N24 NH3 + 3 O2 → 2 N2 + 6 H2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    2.595 % of NH3 (assumed: D-005: the remainder 1 - 0.955 - 0.0190548 (complete NH3 conversion, ASSUMED))
    Catalyst
    Pt/Rh gauze
  • NH3_N2 · Ammonia oxidation to nitrogen (side reaction)4 NH3 + 3 O2 → 2 N2 + 6 H2O

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    1.6 % of NH3 (assumed: D-005: the remainder 1 - 0.97 - 0.014 (complete NH3 conversion, ASSUMED))
    Catalyst
    Pt/Rh gauze (95/5)

Sources

What the processes cite for this reaction, each source once: for the reaction itself, its conversion, its heat of reaction or its catalyst. As the processes write them; DOIs, US patent numbers and web addresses are linked.

  1. design basis of complete combustion with excess air (owner's decision I-006, 2026-10-30, D-040): US EPA Method 19, 40 CFR Part 60 Appendix A-7, section 12.3.2.1, Eq. 19-13: the F factors count fuel nitrogen as N2 and fuel hydrogen as burnt to water (complete, stoichiometric combustion of the fuel's H, C, S, N and O); Schmitt (AFRC, ark:/87278/s6fc0529, pp. 1-6), as H2_COMB. The NH3 is 0.04 mol% of the furnace fuel (tail gas); the NOx formed from it is not modelled (I-07). Supporting evidence of the earlier S5b basis, kept: Lin et al. (2024), Experimental study on ammonia co-firing with coal for carbon reduction in the boiler of a 300-MW coal-fired power station, Engineering 40, doi:10.1016/j.eng.2024.06.003, abstract: NH3 below 1 ppm at the furnace outlet under all co-firing conditions; the NOx formed from it is not modelled (I-07, D-034). S5b fix r2: closer, still not this duty: Sharma et al. (2024), Flame behavior and emission characteristics of methane and ammonia fueled high-temperature flame in a bench-scale furnace, J. Therm. Sci. Technol. 19(2), 24-00063, doi:10.1299/jtst.24-00063, abstract: a gas-fired furnace on 30 % NH3 / 70 % CH4 (LHV basis), NH3 and N2O hardly detected at the exhaust; bench scale, air preheated to about 1000 C (E-106 preheats to 250 C), excess air not stated in the abstract

    For the conversion · cited by Ammonia from natural gas (1500 t/d, steam reforming with air-fed secondary reformer, Haber-Bosch loop)

  2. D-005: the remainder 1 - 0.98 - 0.014031 (US 3,110,563 names N2 and N2O as the rest; complete NH3 conversion ASSUMED)

    For the conversion · cited by Hydroxylammonium sulfate by catalytic NO hydrogenation (30 kt/a NH2OH, 25 wt% solution)

  3. cheme chemistry library nitric_acid

    For the reaction · cited by Weak nitric acid by dual-pressure ammonia oxidation (1000 t/d HNO3 as 60 wt% acid)

  4. D-005: the remainder 1 - 0.955 - 0.0190548 (complete NH3 conversion, ASSUMED)

    For the conversion · cited by Weak nitric acid by dual-pressure ammonia oxidation (1000 t/d HNO3 as 60 wt% acid)

  5. D-005: the remainder 1 - 0.97 - 0.014 (complete NH3 conversion, ASSUMED)

    For the conversion · cited by Sodium nitrite from ammonia oxidation and soda absorption (with sodium nitrate by inversion)

Starter template

A starting template is in the ChemE-as-Code toolkit (Nitric acid (Ostwald process, ammonia oxidation)): cheme chemistry library nitric_acid --add

Templates bring the stoichiometry, the components and typical catalysts; most give no conversion or kinetics, and their sources are general references, not this reaction's processes.