thermo.combustion module

thermo.combustion.Hcombustion(atoms, Hf=None, HfH2O=-285825, HfCO2=-393474, HfSO2=-296800, HfBr2=30880, HfI2=62417, HfHCl=-92173, HfHF=-272711, HfP4O10=-3009940, HfO2=0, HfN2=0)[source]

Calculates the heat of combustion, in J/mol. Value non-hydrocarbons is not correct, but still calculable.

Parameters:

atoms : dict

Dictionary of atoms and their counts, []

Hf : float

Heat of formation of given chemical, [J/mol]

HfH2O : float, optional

Heat of formation of water, [J/mol]

HfCO2 : float, optional

Heat of formation of carbon dioxide, [J/mol]

HfSO2 : float, optional

Heat of formation of sulfur dioxide, [J/mol]

HfBr2 : float, optional

Heat of formation of bromine, [J/mol]

HfI2 : float, optional

Heat of formation of iodine, [J/mol]

HfHCl : float, optional

Heat of formation of chlorine, [J/mol]

HfHF : float, optional

Heat of formation of hydrogen fluoride, [J/mol]

HfP4O10 : float, optional

Heat of formation of phosphorus pentoxide, [J/mol]

HfO2 : float, optional

Heat of formation of oxygen, [J/mol]

HfN2 : float, optional

Heat of formation of nitrogen, [J/mol]

Returns:

Hc : float

Heat of combustion of chemical, [J/mol]

Notes

Default heats of formation for chemicals are at 298 K, 1 atm.

Examples

Liquid methanol burning

>>> Hcombustion({'H': 4, 'C': 1, 'O': 1}, Hf=-239100)
-726024.0