cantera/interfaces/python/Cantera/OneD/CounterFlame.py

219 lines
7 KiB
Python

"""A counterflow flame."""
from onedim import *
from Cantera.num import zeros
import math
def erfc(x):
"""The complementary error function."""
exp = math.exp
p = 0.3275911
a1 = 0.254829592
a2 = -0.284496736
a3 = 1.421413741
a4 = -1.453152027
a5 = 1.061405429
t = 1.0 / (1.0 + p*x)
erfcx = ( (a1 + (a2 + (a3 +
(a4 + a5*t)*t)*t)*t)*t ) * exp(-x*x)
return erfcx
def erf(x):
"""The error function."""
if x < 0:
return -(1.0 - erfc(-x))
else:
return 1.0 - erfc(x)
class CounterFlame(Stack):
"""A non-premixed counterflow flame."""
def __init__(self, gas = None, grid = None):
"""
The domains are::
[self.fuel_inlet, # class Inlet,
self.flame, # class AxisymmetricFlow,
self.oxidizer_inlet] # class Inlet
"""
self.fuel_inlet = Inlet('fuel inlet')
self.oxidizer_inlet = Inlet('oxidizer inlet')
self.gas = gas
self.fuel_inlet.set(temperature = gas.temperature())
self.oxidizer_inlet.set(temperature = gas.temperature())
self.pressure = gas.pressure()
self.flame = AxisymmetricFlow('flame',gas = gas)
self.flame.setupGrid(grid)
Stack.__init__(self, [self.fuel_inlet, self.flame,
self.oxidizer_inlet])
self.setRefineCriteria()
def init(self, fuel = '', oxidizer = 'O2', stoich = -1.0):
"""Set the initial guess for the solution. The fuel species
must be specified, and the oxidizer may be
>>> f.init(fuel='CH4')
The initial guess is generated by assuming infinitely-fast
chemistry."""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
wt = gas.molecularWeights()
# find the fuel and oxidizer species
iox = gas.speciesIndex(oxidizer)
ifuel = gas.speciesIndex(fuel)
# if no stoichiometric ratio was input, compute it
if stoich < 0.0:
if oxidizer == 'O2':
nh = gas.nAtoms(fuel, 'H')
nc = gas.nAtoms(fuel, 'C')
stoich = 1.0*nc + 0.25*nh
else:
raise CanteraError('oxidizer/fuel stoichiometric ratio must'+
' be specified, since the oxidizer is not O2')
s = stoich*wt[iox]/wt[ifuel]
y0f = self.fuel_inlet.massFraction(ifuel)
y0ox = self.oxidizer_inlet.massFraction(iox)
phi = s*y0f/y0ox
zst = 1.0/(1.0 + phi)
yin_f = zeros(nsp, 'd')
yin_o = zeros(nsp, 'd')
yst = zeros(nsp, 'd')
for k in range(nsp):
yin_f[k] = self.fuel_inlet.massFraction(k)
yin_o[k] = self.oxidizer_inlet.massFraction(k)
yst[k] = zst*yin_f[k] + (1.0 - zst)*yin_o[k]
gas.setState_TPY(self.fuel_inlet.temperature(), self.pressure, yin_f)
mdotf = self.fuel_inlet.mdot()
u0f = mdotf/gas.density()
t0f = self.fuel_inlet.temperature()
gas.setState_TPY(self.oxidizer_inlet.temperature(),
self.pressure, yin_o)
mdoto = self.oxidizer_inlet.mdot()
u0o = mdoto/gas.density()
t0o = self.oxidizer_inlet.temperature()
# get adiabatic flame temperature and composition
tbar = 0.5*(t0o + t0f)
gas.setState_TPY(tbar, self.pressure, yst)
gas.equilibrate('HP')
teq = gas.temperature()
yeq = gas.massFractions()
# estimate strain rate
zz = self.flame.grid()
dz = zz[-1] - zz[0]
a = (u0o + u0f)/dz
diff = gas.mixDiffCoeffs()
f = math.sqrt(a/(2.0*diff[iox]))
x0 = mdotf*dz/(mdotf + mdoto)
nz = len(zz)
y = zeros([nz,nsp],'d')
t = zeros(nz,'d')
for j in range(nz):
x = zz[j]
zeta = f*(x - x0)
zmix = 0.5*(1.0 - erf(zeta))
if zmix > zst:
for k in range(nsp):
y[j,k] = yeq[k] + (zmix - zst)*(yin_f[k]
- yeq[k])/(1.0 - zst)
t[j] = teq + (t0f - teq)*(zmix - zst)/(1.0 - zst)
else:
for k in range(nsp):
y[j,k] = yin_o[k] + zmix*(yeq[k] - yin_o[k])/zst
t[j] = t0o + (teq - t0o)*zmix/zst
t[0] = t0f
t[-1] = t0o
zrel = zz/dz
self.setProfile('u', [0.0, 1.0], [u0f, -u0o])
self.setProfile('V', [0.0, x0/dz, 1.0], [0.0, a, 0.0])
self.setProfile('T', zrel, t)
for k in range(nsp):
self.setProfile(gas.speciesName(k), zrel, y[:,k])
self._initialized = 1
def solve(self, loglevel = 1, refine_grid = 1):
if not self._initialized: self.init()
Stack.solve(self, loglevel = loglevel, refine_grid = refine_grid)
def setRefineCriteria(self, ratio = 10.0, slope = 0.8, curve = 0.8,
prune = 0.0):
Stack.setRefineCriteria(self, domain = self.flame,
ratio = ratio, slope = slope, curve = curve,
prune = prune)
def setGridMin(self, gridmin):
Stack.setGridMin(self, self.flame, gridmin)
def setProfile(self, component, locs, vals):
self._initialized = 1
Stack.setProfile(self, self.flame, component, locs, vals)
def set(self, tol = None, energy = '', tol_time = None):
"""Set parameters.
:param tol:
(rtol, atol) for steady-state
:param tol_time:
(rtol, atol) for time stepping
:param energy:
'on' or 'off' to enable or disable the energy equation
"""
if tol:
self.flame.setTolerances(default = tol)
if tol_time:
self.flame.setTolerances(default = tol_time, time = 1)
if energy:
self.flame.set(energy = energy)
def T(self, point = -1):
"""The temperature [K]"""
return self.solution('T', point)
def u(self, point = -1):
"""The axial velocity [m/s]"""
return self.solution('u', point)
def V(self, point = -1):
"""The radial velocity divided by radius [s^-1]"""
return self.solution('V', point)
def solution(self, component = '', point = -1):
"""The solution for one specified component. If a point number
is given, return the value of component 'component' at this
point. Otherwise, return the entire profile for this
component."""
if point >= 0: return self.value(self.flame, component, point)
else: return self.profile(self.flame, component)
def setGasState(self, j):
"""Set the state of the object representing the gas to the
current solution at grid point j."""
nsp = self.gas.nSpecies()
y = zeros(nsp, 'd')
for n in range(nsp):
nm = self.gas.speciesName(n)
y[n] = self.solution(nm, j)
self.gas.setState_TPY(self.T(j), self.pressure, y)
fix_docs(CounterFlame)