Cantera/Adiabatic Flame Temperature Dilution

Let's analyze the effect of diluants (nitrogen and carbon dioxide) on the adiabatic flame temperature. Why, you ask? This issue of dilution is of central importance to oxy-fuel combustion, in which effluent gas containing carbon dioxide is recycled into the front of the reactor, so you're not burning with pure oxygen - a big safety hazard and an extremely hot process that'll mess up air-fired reactors.

Background

Adiabatic Flame Temperature Review

Let's review what the AFT is.

Computing the AFT in Cantera

We can compute an adiabatic flame temperature with Cantera by initializing a batch reactor, which will be adiabatic by default, and advancing it until combustion has completed. The final temperature is the adiabatic flame temperature.

in pseudocode,

function compute_adiabatic_flame_T:
    create gas phase object with associated reaction network
    set gas state
    create reactor with gas in it
    create reactor network with reactor in it
    advance reactor network for a while
    return reactor temperature

Translating that to real Python code,

from Cantera import *
from Cantera.Reactor import *
from numpy import *

def compute_adiabatic_flame_T( X0, T0, P0, dt=5.0e-3 ):
    print "Computing an adiabatic flame temperature..."
    g = GRI30()
    g.set(X = X0, T = T0, P = P0)
    r = Reactor(g)
    n = ReactorNet([r])
    ttotal = 0.10
    t = 0.0
    while t < ttotal:
        t = t + dt
        n.advance(t)
    return r.temperature()

Now we can feed a list of composition vectors or composition strings, and get a list of adiabatic flame temperatures.

Adiabatic Flame Temperature vs Equivalence Ratio

A classical plot for adiabatic flame temperature is the adiabatic flame temperature versus equivalence ratio. The equivalence ratio is defined as:

$ \phi = \frac{ \mbox{fuel-oxidizer ratio} }{ \mbox{stoich fuel-oxidizer ratio} } $

Continuing on the code above,

def equivalence_ratio_test():
    T0 = 1073.15
    P0 = 3*OneAtm
    phis = logspace(-1,1,10)
    
    afts = []
    for phi in phis:
        X = phi_to_X(phi)
        afts.append(compute_adiabatic_flame_T(X,T0,P0))
    
    fig = plt.figure()
    ax = fig.add_subplot(111)
    ax.semilogx(phis,afts,'bo')
    ax.set_xlabel('Phi')
    ax.set_ylabel('Adiabatic Flame Temp [K]')
    ax.set_title('Adiab Flame Temp vs Equivalence Ratio')
    fig.savefig('AFTvsDilFrac.eps')
    fig.savefig('AFTvsDilFrac.png')

    plt.draw()
    plt.show()

Nitrogen and Carbon Dioxide Dilution

Air is composed of a 3.7:1 mix of nitrogen and oxygen. To mimic air in an oxy-fired system, an operator would try and mimic the dilution of oxygen with carbon dioxide by mixing them in a similar ratio. However, this is a variable that the operator can (must) control, because not all of the properties of a carbon dioxide-diluted flame match those of a nitrogen-diluted flame. It can be varied to make those properties match more closely.

Just to start with