def init(self):
"""Set the initial guess for the solution. The adiabatic flame
temperature and equilibrium composition are computed for the
burner gas composition. The temperature profile rises linearly
in the first 20% of the flame to Tad, then is flat. The mass
fraction profiles are set similarly.
"""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
yin = zeros(nsp, 'd')
for k in range(nsp):
yin[k] = self.burner.massFraction(k)
gas.setState_TPY(self.burner.temperature(), self.pressure, yin)
u0 = self.burner.mdot() / gas.density()
t0 = self.burner.temperature()
# get adiabatic flame temperature and composition
gas.equilibrate('HP', solver=1)
teq = gas.temperature()
yeq = gas.massFractions()
u1 = self.burner.mdot() / gas.density()
z1 = 0.2
locs = array([0.0, z1, 1.0], 'd')
self.setProfile('u', locs, [u0, u1, u1])
self.setProfile('T', locs, [t0, teq, teq])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yeq[n], yeq[n]])
self._initialized = 1
def init(self):
"""Set the initial guess for the solution. The adiabatic flame
temperature and equilibrium composition are computed for the
burner gas composition. The temperature profile rises linearly
in the first 20% of the flame to Tad, then is flat. The mass
fraction profiles are set similarly.
"""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
yin = zeros(nsp, 'd')
for k in range(nsp):
yin[k] = self.burner.massFraction(k)
gas.setState_TPY(self.burner.temperature(), self.pressure, yin)
u0 = self.burner.mdot()/gas.density()
t0 = self.burner.temperature()
# get adiabatic flame temperature and composition
gas.equilibrate('HP')
teq = gas.temperature()
yeq = gas.massFractions()
u1 = self.burner.mdot()/gas.density()
z1 = 0.2
locs = array([0.0, z1, 1.0],'d')
self.setProfile('u', locs, [u0, u1, u1])
self.setProfile('T', locs, [t0, teq, teq])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yeq[n], yeq[n]])
self._initialized = 1
def massFractions(self):
"""Return an array of the species mass fractions."""
nsp = self._contents.nSpecies()
y = zeros(nsp,'d')
for k in range(nsp):
y[k] = self.massFraction(k)
return y
def massFractions(self):
"""Return an array of the species mass fractions."""
nsp = self._contents.nSpecies()
y = zeros(nsp, 'd')
for k in range(nsp):
y[k] = self.massFraction(k)
return y
def setValveCoeff(self, Kv=-1.0):
"""Set or reset the valve coefficient \f$ K_v \f$."""
vv = zeros(1, 'd')
vv[0] = Kv
if self._verbose:
print
print self._name + ': setting valve coefficient to ' + ` Kv ` + ' kg/Pa-s'
self._setParameters(vv)
def saveState(self):
"""Return an array with state information that can later be
used to restore the state."""
state = zeros(self.nSpecies() + 2, 'd')
state[0] = self.temperature()
state[1] = self.density()
state[2:] = self.massFractions()
return state
def saveState(self):
"""Return an array with state information that can later be
used to restore the state."""
state = zeros(self.nSpecies()+2,'d')
state[0] = self.temperature()
state[1] = self.density()
state[2:] = self.massFractions()
return state
def setPressureCoeff(self, Kv):
"""Set or reset the pressure coefficient :math:`K_v`."""
vv = zeros(1,'d')
vv[0] = Kv
if self._verbose:
print
print self._name+': setting pressure coefficient to '+`Kv`+' kg/Pa-s'
self._setParameters(vv)
def __init__(self, domains = None):
self._hndl = 0
nd = len(domains)
hndls = zeros(nd,'i')
for n in range(nd):
hndls[n] = domains[n].domain_hndl()
self._hndl = _cantera.sim1D_new(hndls)
self._domains = domains
def coverages(self):
"""The coverages of the surface species."""
nsurf = self.surfchem.nSpecies()
cov = zeros(nsurf,'d')
for n in range(nsurf):
nm = self.surfchem.speciesName(n)
cov[n] = self.value(self.surface, nm, 0)
return cov
def __init__(self, domains=None):
self._hndl = 0
nd = len(domains)
hndls = zeros(nd, 'i')
for n in range(nd):
hndls[n] = domains[n].domain_hndl()
self._hndl = _cantera.sim1D_new(hndls)
self._domains = domains
def setPressureCoeff(self, Kv):
"""Set or reset the pressure coefficient :math:`K_v`."""
vv = zeros(1, 'd')
vv[0] = Kv
if self._verbose:
print
print self._name + ': setting pressure coefficient to ' + ` Kv ` + ' kg/Pa-s'
self._setParameters(vv)
def coverages(self):
"""The coverages of the surface species."""
nsurf = self.surfchem.nSpecies()
cov = zeros(nsurf, 'd')
for n in range(nsurf):
nm = self.surfchem.speciesName(n)
cov[n] = self.value(self.surface, nm, 0)
return cov
def setValveCoeff(self, Kv = -1.0):
"""Set or reset the valve coefficient \f$ K_v \f$."""
vv = zeros(1,'d')
vv[0] = Kv
if self._verbose:
print
print self._name+': setting valve coefficient to '+`Kv`+' kg/Pa-s'
self._setParameters(vv)
def profile(self, domain, component):
"""Spatial profile of one component in one domain.
>>> print s.profile(flow, 'T')
"""
np = domain.nPoints()
x = zeros(np, 'd')
for n in range(np):
x[n] = self.value(domain, component, n)
return x
def profile(self, domain, component):
"""Spatial profile of one component in one domain.
>>> print s.profile(flow, 'T')
"""
np = domain.nPoints()
x = zeros(np,'d')
for n in range(np):
x[n] = self.value(domain, component, n)
return x
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)
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.flow.pressure(), y)
def phaseMoles(self, n=-1):
"""Moles of phase n."""
if n == -1:
np = self.nPhases()
moles = zeros(np, 'd')
for m in range(np):
moles[m] = _cantera.mix_phaseMoles(self.__mixid, m)
return moles
else:
return _cantera.mix_phaseMoles(self.__mixid, n)
def phaseMoles(self, n = -1):
"""Moles of phase n."""
if n == -1:
np = self.nPhases()
moles = zeros(np,'d')
for m in range(np):
moles[m] = _cantera.mix_phaseMoles(self.__mixid, m)
return moles
else:
return _cantera.mix_phaseMoles(self.__mixid, n)
def _dict2arrays(self, d=None, array1=None, array2=None):
nc = self.nComponents()
if d.has_key('default'):
a1 = zeros(nc, 'd') + d['default'][0]
a2 = zeros(nc, 'd') + d['default'][1]
del d['default']
else:
if array1: a1 = array(array1)
else: a1 = zeros(nc, 'd')
if array2: a2 = array(array2)
else: a2 = zeros(nc, 'd')
for k in d.keys():
c = self.componentIndex(k)
if c >= 0:
a1[self.componentIndex(k)] = d[k][0]
a2[self.componentIndex(k)] = d[k][1]
else:
raise CanteraError('unknown component ' + k)
return (a1, a2)
def _dict2arrays(self, d = None, array1 = None, array2 = None):
nc = self.nComponents()
if d.has_key('default'):
a1 = zeros(nc,'d') + d['default'][0]
a2 = zeros(nc,'d') + d['default'][1]
del d['default']
else:
if array1: a1 = array(array1)
else: a1 = zeros(nc,'d')
if array2: a2 = array(array2)
else: a2 = zeros(nc,'d')
for k in d.keys():
c = self.componentIndex(k)
if c >= 0:
a1[self.componentIndex(k)] = d[k][0]
a2[self.componentIndex(k)] = d[k][1]
else:
raise CanteraError('unknown component '+k)
return (a1, a2)
def productStoichCoeffs(self):
"""The array of product stoichiometric coefficients. Element
[k,i] of this array is the product stoichiometric
coefficient of species k in reaction i."""
nsp = _cantera.kin_nspecies(self.ckin)
nr = _cantera.kin_nreactions(self.ckin)
nu = zeros((nsp, nr), 'd')
for i in range(nr):
for k in range(nsp):
nu[k, i] = _cantera.kin_pstoichcoeff(self.ckin, k, i)
return nu
def productStoichCoeffs(self):
"""The array of product stoichiometric coefficients. Element
[k,i] of this array is the product stoichiometric
coefficient of species *k* in reaction *i*."""
nsp = _cantera.kin_nspecies(self.ckin)
nr = _cantera.kin_nreactions(self.ckin)
nu = zeros((nsp,nr),'d')
for i in range(nr):
for k in range(nsp):
nu[k,i] = _cantera.kin_pstoichcoeff(self.ckin,k,i)
return nu
def isentropic(g = None):
"""
ISENTROPIC isentropic, adiabatic flow example
In this example, the area ratio vs. Mach number curve is
computed. If a gas object is supplied, it will be used for the
calculations, with the stagnation state given by the input gas
state. Otherwise, the calculations will be done for a 10:1
hydrogen/nitrogen mixture with stagnation T0 = 1200 K, P0 = 10
atm.
"""
if g == None:
gas = GRI30()
gas.set(T = 1200.0,P = 10.0*OneAtm,X = 'H2:1,N2:0.1')
else:
gas = g
# get the stagnation state parameters
s0 = gas.entropy_mass()
h0 = gas.enthalpy_mass()
p0 = gas.pressure()
mdot = 1 # arbitrary
amin = 1.e14
data = zeros((200,4),'d')
# compute values for a range of pressure ratios
for r in range(200):
p = p0*(r+1)/201.0
# set the state using (p,s0)
gas.set(S = s0, P = p)
h = gas.enthalpy_mass()
rho = gas.density()
v2 = 2.0*(h0 - h) # h + V^2/2 = h0
v = math.sqrt(v2)
area = mdot/(rho*v); # rho*v*A = constant
if area < amin: amin = area
data[r,:] = [area, v/soundspeed(gas), gas.temperature(), p/p0]
data[:,0] /= amin
return data
def isentropic(g=None):
"""
ISENTROPIC isentropic, adiabatic flow example
In this example, the area ratio vs. Mach number curve is
computed. If a gas object is supplied, it will be used for the
calculations, with the stagnation state given by the input gas
state. Otherwise, the calculations will be done for a 10:1
hydrogen/nitrogen mixture with stagnation T0 = 1200 K, P0 = 10
atm.
"""
if g == None:
gas = GRI30()
gas.set(T=1200.0, P=10.0 * OneAtm, X='H2:1,N2:0.1')
else:
gas = g
# get the stagnation state parameters
s0 = gas.entropy_mass()
h0 = gas.enthalpy_mass()
p0 = gas.pressure()
mdot = 1 # arbitrary
amin = 1.e14
data = zeros((200, 4), 'd')
# compute values for a range of pressure ratios
for r in range(200):
p = p0 * (r + 1) / 201.0
# set the state using (p,s0)
gas.set(S=s0, P=p)
h = gas.enthalpy_mass()
rho = gas.density()
v2 = 2.0 * (h0 - h) # h + V^2/2 = h0
v = math.sqrt(v2)
area = mdot / (rho * v)
# rho*v*A = constant
if area < amin: amin = area
data[r, :] = [area, v / soundspeed(gas), gas.temperature(), p / p0]
data[:, 0] /= amin
return data
def grid(self, n = -1):
""" If *n* >= 0, return the value of the nth grid point
from the left in this domain. If n is not supplied, return
the entire grid.
>>> z4 = d.grid(4)
>>> z_array = d.grid()
"""
if n >= 0:
return _cantera.domain_grid(self._hndl, n)
else:
g = zeros(self.nPoints(),'d')
for j in range(len(g)):
g[j] = _cantera.domain_grid(self._hndl, j)
return g
def grid(self, n=-1):
""" If *n* >= 0, return the value of the nth grid point
from the left in this domain. If n is not supplied, return
the entire grid.
>>> z4 = d.grid(4)
>>> z_array = d.grid()
"""
if n >= 0:
return _cantera.domain_grid(self._hndl, n)
else:
g = zeros(self.nPoints(), 'd')
for j in range(len(g)):
g[j] = _cantera.domain_grid(self._hndl, j)
return g
def init(self, products='inlet'):
"""Set the initial guess for the solution. If products = 'equil',
then the equilibrium composition at the adiabatic flame temperature
will be used to form the initial guess. Otherwise the inlet composition
will be used."""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
yin = zeros(nsp, 'd')
for k in range(nsp):
yin[k] = self.inlet.massFraction(k)
gas.setState_TPY(self.inlet.temperature(), self.pressure, yin)
u0 = self.inlet.mdot() / gas.density()
t0 = self.inlet.temperature()
V0 = 0.0
tsurf = self.surface.temperature()
zz = self.flow.grid()
dz = zz[-1] - zz[0]
if products == 'equil':
gas.equilibrate('HP')
teq = gas.temperature()
yeq = gas.massFractions()
locs = array([0.0, 0.3, 0.7, 1.0], 'd')
self.setProfile('T', locs, [t0, teq, teq, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs,
[yin[n], yeq[n], yeq[n], yeq[n]])
else:
locs = array([0.0, 1.0], 'd')
self.setProfile('T', locs, [t0, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yin[n]])
locs = array([0.0, 1.0], 'd')
self.setProfile('u', locs, [u0, 0.0])
self.setProfile('V', locs, [V0, V0])
self._initialized = 1
def init(self, products = 'inlet'):
"""Set the initial guess for the solution. If products = 'equil',
then the equilibrium composition at the adiabatic flame temperature
will be used to form the initial guess. Otherwise the inlet composition
will be used."""
self.getInitialSoln()
gas = self.gas
nsp = gas.nSpecies()
yin = zeros(nsp, 'd')
for k in range(nsp):
yin[k] = self.inlet.massFraction(k)
gas.setState_TPY(self.inlet.temperature(), self.flow.pressure(), yin)
u0 = self.inlet.mdot()/gas.density()
t0 = self.inlet.temperature()
V0 = 0.0
tsurf = self.surface.temperature()
zz = self.flow.grid()
dz = zz[-1] - zz[0]
if products == 'equil':
gas.equilibrate('HP')
teq = gas.temperature()
yeq = gas.massFractions()
locs = array([0.0, 0.3, 0.7, 1.0],'d')
self.setProfile('T', locs, [t0, teq, teq, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yeq[n], yeq[n], yeq[n]])
else:
locs = array([0.0, 1.0],'d')
self.setProfile('T', locs, [t0, tsurf])
for n in range(nsp):
self.setProfile(gas.speciesName(n), locs, [yin[n], yin[n]])
locs = array([0.0, 1.0],'d')
self.setProfile('u', locs, [u0, 0.0])
self.setProfile('V', locs, [V0, V0])
self._initialized = 1
def __init__(self, g):
self.g = g
self._mech = g
self.nsp = g.nSpecies()
self._moles = zeros(self.nsp, 'd')
self.wt = g.molecularWeights()
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 speciesMoles(self, species=""):
"""Moles of species k."""
moles = zeros(self.nSpecies(), 'd')
for k in range(self.nSpecies()):
moles[k] = _cantera.mix_speciesMoles(self.__mixid, k)
return self.selectSpecies(moles, species)
def chemPotentials(self, species=[]):
"""The chemical potentials of all species [J/kmol]."""
mu = zeros(self.nSpecies(), 'd')
_cantera.mix_getChemPotentials(self.__mixid, mu)
return self.selectSpecies(mu, species)
def chemPotentials(self, species=[]):
"""The chemical potentials of all species [J/kmol]."""
mu = zeros(self.nSpecies(),'d')
_cantera.mix_getChemPotentials(self.__mixid, mu)
return self.selectSpecies(mu, species)
def speciesMoles(self, species = ""):
"""Moles of species k."""
moles = zeros(self.nSpecies(),'d')
for k in range(self.nSpecies()):
moles[k] = _cantera.mix_speciesMoles(self.__mixid, k)
return self.selectSpecies(moles, species)
def __init__(self, g):
self.g = g
self._mech = g
self.nsp = g.nSpecies()
self._moles = zeros(self.nsp, "d")
self.wt = g.molecularWeights()
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