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()

At phi =          0.3, Tad =         1066
At phi =       0.3653, Tad =         1208
At phi =       0.4306, Tad =         1343
At phi =       0.4959, Tad =         1472
At phi =       0.5612, Tad =         1595
At phi =       0.6265, Tad =         1713
At phi =       0.6918, Tad =         1825
At phi =       0.7571, Tad =         1931
At phi =       0.8224, Tad =         2030
At phi =       0.8878, Tad =         2119
At phi =       0.9531, Tad =         2192
At phi =        1.018, Tad =         2232
At phi =        1.084, Tad =         2220
At phi =        1.149, Tad =         2176
At phi =        1.214, Tad =         2125
At phi =         1.28, Tad =         2073
At phi =        1.345, Tad =         2022
At phi =         1.41, Tad =         1972
At phi =        1.476, Tad =         1923
At phi =        1.541, Tad =         1875
At phi =        1.606, Tad =         1828
At phi =        1.671, Tad =         1782
At phi =        1.737, Tad =         1737
At phi =        1.802, Tad =         1693
At phi =        1.867, Tad =         1650
At phi =        1.933, Tad =         1608
At phi =        1.998, Tad =         1566
At phi =        2.063, Tad =         1526
At phi =        2.129, Tad =         1486
At phi =        2.194, Tad =         1446
At phi =        2.259, Tad =         1408
At phi =        2.324, Tad =         1370
At phi =         2.39, Tad =         1333
At phi =        2.455, Tad =         1297
At phi =         2.52, Tad =         1261
At phi =        2.586, Tad =         1226
At phi =        2.651, Tad =         1191
At phi =        2.716, Tad =         1157
At phi =        2.782, Tad =         1124
At phi =        2.847, Tad =         1093
At phi =        2.912, Tad =         1064
At phi =        2.978, Tad =         1038
At phi =        3.043, Tad =         1018
At phi =        3.108, Tad =         1002
At phi =        3.173, Tad =        989.5
At phi =        3.239, Tad =        979.8
At phi =        3.304, Tad =        972.9
At phi =        3.369, Tad =        969.9
At phi =        3.435, Tad =        966.9
At phi =          3.5, Tad =          964
Output written to adiabatic.csv