Adiabatic flame temperature including solid carbon formation

Adiabatic flame temperature and equilibrium composition for a fuel/air mixture as a function of equivalence ratio, including formation of solid carbon.

Requires: cantera >= 2.5.0, matplotlib >= 2.0

Tags: Python equilibrium combustion multiphase

import cantera as ct
import numpy as np
import sys
import csv

Edit these parameters to change the initial temperature, the pressure, and the phases in the mixture.

T = 300.0
P = 101325.0

# phases
gas = ct.Solution('gri30.yaml')
carbon = ct.Solution('graphite.yaml')

# the phases that will be included in the calculation, and their initial moles
mix_phases = [(gas, 1.0), (carbon, 0.0)]

# gaseous fuel species
fuel_species = 'CH4'

# equivalence ratio range
npoints = 50
phi = np.linspace(0.3, 3.5, npoints)

mix = ct.Mixture(mix_phases)

# create some arrays to hold the data
tad = np.zeros(npoints)
xeq = np.zeros((mix.n_species, npoints))

for i in range(npoints):
    # set the gas state
    gas.set_equivalence_ratio(phi[i], fuel_species, 'O2:1.0, N2:3.76')

    # create a mixture of 1 mole of gas, and 0 moles of solid carbon.
    mix = ct.Mixture(mix_phases)
    mix.T = T
    mix.P = P

    # equilibrate the mixture adiabatically at constant P
    mix.equilibrate('HP', solver='gibbs', max_steps=1000)

    tad[i] = mix.T
    print('At phi = {0:12.4g}, Tad = {1:12.4g}'.format(phi[i], tad[i]))
    xeq[:, i] = mix.species_moles

# write output CSV file for importing into Excel
csv_file = 'adiabatic.csv'
with open(csv_file, 'w', newline='') as outfile:
    writer = csv.writer(outfile)
    writer.writerow(['phi', 'T (K)'] + mix.species_names)
    for i in range(npoints):
        writer.writerow([phi[i], tad[i]] + list(xeq[:, i]))
print('Output written to {0}'.format(csv_file))

if '--plot' in sys.argv:
    import matplotlib.pyplot as plt
    plt.plot(phi, tad)
    plt.xlabel('Equivalence ratio')
    plt.ylabel('Adiabatic flame temperature [K]')
    plt.show()