Closed fwitte closed 3 years ago
Thanks so much for testing this out. I enhanced the correct_atomic_balance method to be more flexible (check out the latest git version or "pip install thermosteam==0.21.8). Your test should work now:
>>> import thermosteam as tmo
>>> from thermosteam import reaction as rxn
>>> chemicals = tmo.Chemicals(['Water', 'Methane', 'CO2', 'O2'])
>>> tmo.settings.set_thermo(chemicals)
>>> combustion = rxn.Reaction('Methane + O2 -> Water + CO2',
... reactant='Methane', X=1,
... correct_atomic_balance=True)
>>> combustion.show()
Reaction (by mol):
stoichiometry reactant X[%]
Methane + 2 O2 -> 2 Water + CO2 Methane 100.00
I updated the documentation with more details too: https://thermosteam.readthedocs.io/en/latest/reaction/Reaction.html#thermosteam.reaction.Reaction.correct_atomic_balance
Let me know if you have any further questions!
Hi Yoel, I always like to try and fiddle with new code/software and wanted to create something I am more familiar with than biodiesel reactions :), a combustion reaction of methane with auto correcting the atomic balance. Unfortunately, I do not really know what I am doing wrong here, can you help me? I would expect, that the atomic balance can be solved here.
Thanks and best regards Francesco