Thermodynamic equilibrium calculation

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arthur gilles

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Sep 2, 2020, 4:08:12 AM9/2/20

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Dear Pycalphad users,

I am looking for an open source PYTHON solution to calculate thermodynamic equilibriums such as the equilibrium composition of methane over temperature leading to H2,C2H2 and C at high temperature.

I was wondering if PyCalphad is adapted to this kind of calculation and if the database of components such as H2, CO, CO2, CH4, H20, C is included in the package.

If you have any examples, they will be welcome. In case PyCalphad is not the most appropriated tool, do not hesitate to advise me other solutions.