Combustion Reaction Calculator

Balance hydrocarbon and oxygenated fuels compute required oxygen and theoretical air predict exhaust species composition on wet and dry basis calculate air to fuel ratio lambda and equivalence ratio account for nitrogen and sulfur in fuel parse complex formulas with parentheses validate entries and present results clearly for detailed engineering work and emission metrics

Fuel & Air Inputs
Supported elements: C, H, O, N, S. Parentheses and hydrates like CuSO4·5H2O are accepted.
0 = stoichiometric. Positive supplies more air; negative attempts oxygen deficiency.
Typical dry air ≈ 0.21.
Examples
CH4C2H6C3H8C7H16C8H18C2H5OHC3H7OHC6H6C6H5OHCH3OHH2H2SC8H8O3
Click an example to fill the form.

What the Calculator Does

Core Chemistry and Balancing

For a generic hydrocarbon with oxygen, written as CxHyOz, the complete, ideal combustion with dry air is:

CxHyOz  +  a (O2 + 3.761 N2)  →  x CO2  +  (y/2) H2O  +  a·3.761 N2

The required moles of O2 for complete combustion are:

Oxygen demand: astoich = x + y/4 − z/2

Assuming air contains 21% O2 (molar) and 79% N2, the accompanying nitrogen is 3.761 moles N2 per mole O2. When the process uses excess air, λ = actual O2 supplied / astoich, the balanced reaction becomes:

CxHyOz + λ·a_st (O2 + 3.761 N2) → x CO2 + (y/2) H2O + (λ·a_st − a_st) O2 + λ·a_st·3.761 N2
    

By mass, the stoichiometric air–fuel ratio is AFRst = mair,st / mfuel. For gases and vapors at standard conditions, calculators typically report both mass‑ and mole‑based AFRs.

Key Inputs and Outputs

InputDescriptionTypical Range
Fuel formula or nameEmpirical composition (x, y, z) or a preset (e.g., methane, propane, gasoline surrogate).Hydrocarbons and oxygenates
Excess air (λ) or ϕλ > 1 means extra oxygen is provided; ϕ = 1/λ.0.8–2.0
Moisture basisDry or wet flue‑gas reporting; water may be included or excluded from percentages.Dry or Wet
Air compositionDefault 21% O2, 79% N2; advanced tools allow Ar/CO2 traces.Fixed or user‑defined
Output metricsAFR, O2 demand, flue‑gas composition, elemental balances, and sometimes adiabatic flame temperature.Computed

Reference Values for Common Fuels

These representative values help you sanity‑check results. Use them as indicative references; exact values depend on composition.

FuelEmpirical FormulaStoich AFR (mass)Higher Heating Value (MJ/kg)
MethaneCH4~17.2~55.5
PropaneC3H8~15.7~50.4
Gasoline (typ.)CH1.87~14.7~46.4
Diesel (typ.)C12H23~14.5~45.5
EthanolC2H6O~9.0~29.7
HydrogenH2~34.3~141.9

Worked Example: Propane with 10% Excess Air

Given fuel C3H8 and λ = 1.10.

  1. Oxygen demand: ast = x + y/4 − z/2 = 3 + 8/4 − 0 = 5 mol O2 per mol fuel.
  2. Actual O2 supplied: λ·ast = 1.1 × 5 = 5.5 mol.
  3. N2 accompanying air: 5.5 × 3.761 = 20.686 mol.
  4. Products: 3 CO2 + 4 H2O + 0.5 O2 + 20.686 N2 (ideal, complete burn).
QuantityValueNotes
Stoich O2 (mol/mol fuel)5.000From ast formula
Air moles (stoich)5 × (1 + 3.761) = 23.805O2 + N2 components
AFRst (mass)≈ 15.6Using MO2=32, MN2=28.013, Mfuel=44.10
AFR at 10% excess≈ 17.2AFR = λ × AFRst
Flue‑gas (dry, vol%)CO2 ≈ 12.7%, O2 ≈ 1.8%, N2 ≈ 85.5%Excluding water vapor

How to Use the Calculator Effectively

  1. Define the fuel: Enter a measured or assumed empirical formula. For blends, the calculator may accept a molar mix and compute an equivalent formula.
  2. Choose λ or ϕ: For burners and engines operated lean of stoichiometric, specify λ > 1; for rich mixtures, use ϕ > 1 (i.e., λ < 1).
  3. Select dry or wet basis: Decide whether you want flue‑gas fractions reported including water.
  4. Set air composition: Use defaults unless high‑altitude or oxygen‑enriched conditions apply.
  5. Review balances: Confirm that carbon, hydrogen, and oxygen balances close within numerical tolerance.

Energy, Temperature, and Efficiency (Overview)

While a stoichiometric calculator balances atoms, practical design also considers heat release. Using a higher heating value (HHV) or lower heating value (LHV) paired with inlet and exhaust temperatures, the tool can estimate an adiabatic flame temperature by equating reaction enthalpy to sensible heats of products. Real devices exhibit losses and dissociation at high temperatures, so adiabatic estimates tend to be upper bounds. If the calculator provides both HHV and LHV, choose the basis that matches your test data and reporting standard.

Validation and Quality Checks

Assumptions and Limitations

AreaAssumptionImplication
ChemistryComplete combustion to CO2 and H2O onlyReal systems may form CO, NOx, unburned HC; advanced models add these species.
Air Model21% O2, 79% N2, no waterHumidity slightly reduces available O2 and affects wet‑basis reporting.
ThermalIdeal gas with fixed specific heatsAt high T, variable Cp and dissociation reduce adiabatic temperatures.
MeasurementAccurate fuel formula or certified compositionSurrogates (e.g., “gasoline”) introduce uncertainty; validate with flue‑gas analyzers.

Frequently Asked Questions

How does equivalence ratio relate to excess air?

Equivalence ratio ϕ is the ratio of stoichiometric to actual air (or the inverse of λ). Thus, ϕ = 1/λ. A lean burn has λ > 1 and ϕ < 1.

Why do my calculated flue‑gas percentages differ from analyzer readings?

Instruments report either dry or wet basis and include measurement uncertainty. Real combustion can produce CO and NOx, and ambient humidity dilutes the stream. Align the calculator’s basis and species list with the analyzer.

Can the calculator handle oxygenated fuels?

Yes. The oxygen term (z) reduces the external O2 demand via ast = x + y/4 − z/2, which is why alcohols have lower AFRs.

What AFR should I expect for gaseous natural gas?

For methane-dominant gas, AFRst ≈ 17.2 by mass. Mixture variations (ethane/propane content) shift this slightly.

Does altitude matter?

Yes. Lower ambient pressure reduces O2 density, changing volumetric air requirements. The chemical balance is unchanged, but blower sizing may differ.

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Important Note: All the Calculators listed in this site are for educational purpose only and we do not guarentee the accuracy of results. Please do consult with other sources as well.