Then, the heat of combustion can be calculated from the standard enthalpy of formation (ΔH f °) of the substances involved in the reaction, given as tabulated values.
See Thermodyamics key values internationally agreed , Standard state and enthalpy of formation, Gibbs free energy of formation, entropy and heat capacity and Standard enthalpy of formation, Gibbs energy of formation, entropy and molar heat capacity of organic substances
For compounds containing carbon, hydrogen and oxygen (as many organic compounds do), a general combustion reaction equation will be:
C a H b O c + (a + ¼b - ½c) O 2 → aCO 2 (g) + ½bH 2 O (l) + heat of combustion
and the heat of combustion can be calculated from the standard heat of formation of all compounds taking part in the reaction:
ΔH c ° = -a ΔH f °(CO 2 ,g) - ½b ΔH f °(H 2 O,l) + ΔH f °(C a H b O c ) + (a + ¼b - ½c) ΔH f °(O 2 ,g) = -a(- 393.51) - ½b(-285.830) + ΔH f °(C a H b O c ) + (a + ¼b - ½c)*0
= a(393.51) + b(142.915) + ΔH f °(C a H b O c )
Example:
What is the heat of comustion of liquid ethanol, with the formula C 2 H 5 OH (=C 2 H 6 O)?
For ethanol, the constants a, b and c are 2, 6 and 1, respectively, and the chemical equation for the combustion of ethanol:
C 2 H 6 O(l) + 3O 2 (g) → 2CO 2 (g)+ 3H 2 O(l)
The standard heat of formation of liquid ethanol , ΔH f °(C 2 H 6 O, l), is -277.6 kJ/mol.
The heat of combustion of ethanol, ΔH c °(C 2 H 6 O, l) = 2*393.51 + 6*142.915 + (-277.6) = 1366.91 kJ/mol. This can be converted to kJ per mass units:
The molweight of ethanol is (2*12.01 + 6*1.01 + 1*16.00) = 46.08 g/mol
The heat of combustion of ethanol, ΔH c °(C 2 H 6 O, l) = 1366.91[kJ/mol] *1000[g/kg] / 48.08 [g/mol] = 29664 kJ/kg ethanol = 29.7 MJ/kg = 12754 BTU/lb = 7086 kcal/kg
The table below shows values of heat of combustion calculated after the above described method. For substances containing nitrogen, it is assumed that the nitrogen atoms ends up as N 2 gas with ΔH f °(N 2 ) = 0 kJ/mol. In such cases the general equation applies to also these substances. If it is known that other substances is formed in the cumbustion reactions, the exact products must be known to be able to calculate the heat of combustion.
See also Fuel Gases Heating Values and Fossil Fuels - Energy Content .
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