First
of all, when using equilibrate function for mixtures, what equation of
state is it based on, is it PR or some other actual gas equation of
state, is it optional. For example, are the enthalpy and entropy values of M in the code below calculated from the actual gas equation of state or the ideal gas equation of state?
# Stream A (air)
A = ct.Quantity(gas, constant='HP')
A.TPX = 300.0, ct.one_atm, 'O2:0.21, N2:0.78, AR:0.01'
# Stream B (methane)
B = ct.Quantity(gas, constant='HP')
B.TPX = 300.0, ct.one_atm, 'CH4:1'
# Set the molar flow rates corresponding to stoichiometric reaction,
# CH4 + 2 O2 -> CO2 + 2 H2O
A.moles = 1
nO2 = A.X[A.species_index('O2')]
B.moles = nO2 * 0.5
# Compute the mixed state
M = A + B
print(M.report())
# Show that this state corresponds to stoichiometric combustion
M.equilibrate('HP')
Also,
the equilibrate function is based on the Gibbs free energy minimum
calculation, where can I see the solver about the Gibbs free energy
minimum.
Finally, what equation of state is used to calculate the enthalpy-entropy of a pure substance or a mixture.
The programming language I use is python.