def create_sim(self,
p,
fuel='H2:1.0, AR:1.0',
T_fuel=300,
mdot_fuel=0.24,
oxidizer='O2:0.2, AR:0.8',
T_ox=300,
mdot_ox=0.72,
width=0.02):
# Solution object used to compute mixture properties
self.gas = ct.Solution('h2o2.xml', 'ohmech')
self.gas.TP = T_fuel, p
# Flame object
self.sim = ct.CounterflowDiffusionFlame(self.gas, width=width)
# Set properties of the fuel and oxidizer mixtures
self.sim.fuel_inlet.mdot = mdot_fuel
self.sim.fuel_inlet.X = fuel
self.sim.fuel_inlet.T = T_fuel
self.sim.oxidizer_inlet.mdot = mdot_ox
self.sim.oxidizer_inlet.X = oxidizer
self.sim.oxidizer_inlet.T = T_ox
self.sim.set_initial_guess()
def create_sim(self,
p,
fuel='H2:1.0, AR:1.0',
T_fuel=300,
mdot_fuel=0.24,
oxidizer='O2:0.2, AR:0.8',
T_ox=300,
mdot_ox=0.72):
initial_grid = np.linspace(0, 0.02, 6) # m
tol_ss = [2.0e-5, 1.0e-11] # [rtol, atol] for steady-state problem
tol_ts = [5.0e-4, 1.0e-11] # [rtol, atol] for time stepping
# IdealGasMix object used to compute mixture properties
self.gas = ct.Solution('h2o2.xml', 'ohmech')
self.gas.TP = T_fuel, p
# Flame object
self.sim = ct.CounterflowDiffusionFlame(self.gas, initial_grid)
self.sim.flame.set_steady_tolerances(default=tol_ss)
self.sim.flame.set_transient_tolerances(default=tol_ts)
# Set properties of the fuel and oxidizer mixtures
self.sim.fuel_inlet.mdot = mdot_fuel
self.sim.fuel_inlet.X = fuel
self.sim.fuel_inlet.T = T_fuel
self.sim.oxidizer_inlet.mdot = mdot_ox
self.sim.oxidizer_inlet.X = oxidizer
self.sim.oxidizer_inlet.T = T_ox
self.sim.set_initial_guess(fuel='H2')
import os
# Create directory for output data files
data_directory = 'diffusion_flame_extinction_data/'
if not os.path.exists(data_directory):
os.makedirs(data_directory)
# PART 1: INITIALIZATION
# Set up an initial hydrogen-oxygen counterflow flame at 1 bar and low strain
# rate (maximum axial velocity gradient = 2414 1/s)
reaction_mechanism = 'h2o2.xml'
gas = ct.Solution(reaction_mechanism)
width = 18.e-3 # 18mm wide
f = ct.CounterflowDiffusionFlame(gas, width=width)
# Define the operating pressure and boundary conditions
f.P = 1.e5 # 1 bar
f.fuel_inlet.mdot = 0.5 # kg/m^2/s
f.fuel_inlet.X = 'H2:1'
f.fuel_inlet.T = 300 # K
f.oxidizer_inlet.mdot = 3.0 # kg/m^2/s
f.oxidizer_inlet.X = 'O2:1'
f.oxidizer_inlet.T = 500 # K
# Set refinement parameters
f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0.03)
# Define a limit for the maximum temperature below which the flame is
# considered as extinguished and the computation is aborted
tol_ss = [1.0e-5, 1.0e-12] # [rtol, atol] for steady-state problem
tol_ts = [5.0e-4, 1.0e-11] # [rtol, atol] for time stepping
loglevel = 1 # amount of diagnostic output (0 to 5)
refine_grid = 1 # 1 to enable refinement, 0 to disable
# Create the gas object used to evaluate all thermodynamic, kinetic, and
# transport properties.
gas = ct.Solution('gri30.xml', 'gri30_mix')
gas.TP = gas.T, p
# Create an object representing the counterflow flame configuration,
# which consists of a fuel inlet on the left, the flow in the middle,
# and the oxidizer inlet on the right.
f = ct.CounterflowDiffusionFlame(gas, initial_grid)
# Set the state of the two inlets
f.fuel_inlet.mdot = mdot_f
f.fuel_inlet.X = comp_f
f.fuel_inlet.T = tin_f
f.oxidizer_inlet.mdot = mdot_o
f.oxidizer_inlet.X = comp_o
f.oxidizer_inlet.T = tin_o
# Set error tolerances
f.flame.set_steady_tolerances(default=tol_ss)
f.flame.set_transient_tolerances(default=tol_ts)
# Set the boundary emissivities
def CounterflowPartiallyPremixedFlame(mech='gri30.xml',
transport='UnityLewis',
flag_soret=False,
flag_radiation=False,
fuel_name='CH4',
strain_rate=285.,
width=0.01,
p=1.,
phi_f='inf',
phi_o=0.,
tin_f=300.,
tin_o=300.,
solution=None):
################################################################################
# Create the gas object used to evaluate all thermodynamic, kinetic, and
# transport properties.
gas = ct.Solution(mech)
phi_f = float(phi_f)
if phi_f <= 1.:
sys.exit('Equivalence ratio of fuel side {:g}'.format(phi_f))
if phi_o >= 1.:
sys.exit('Equivalence ratio of oxidizer side {:g}'.format(phi_o))
# construct case name
flame_params = {}
flame_params['F'] = fuel_name
flame_params['p'] = p
flame_params['a'] = strain_rate
flame_params['phif'] = phi_f
flame_params['phio'] = phi_o
flame_params['tf'] = tin_f
flame_params['to'] = tin_o
case_name = params2name(flame_params)
################################################################################
p *= ct.one_atm # pressure
# Create an object representing the counterflow flame configuration,
# which consists of a fuel inlet on the left, the flow in the middle,
# and the oxidizer inlet on the right.
f = ct.CounterflowDiffusionFlame(gas, width=width)
f.transport_model = transport
f.P = p
if solution is not None:
f.restore(solution, loglevel=0)
solution_width = f.grid[-1] - f.grid[0]
width_factor = width / solution_width
solution_strain = (f.u[0] - f.u[-1]) / solution_width
strain_factor = strain_rate / solution_strain
normalized_grid = f.grid / solution_width
u_factor = strain_factor * width_factor
# update solution initialization following Fiala & Sattelmayer
f.flame.grid = normalized_grid * width
f.set_profile('u', normalized_grid, f.u * u_factor)
f.set_profile('V', normalized_grid, f.V * strain_factor)
f.set_profile('lambda', normalized_grid,
f.L * np.square(strain_factor))
oxy = {'O2': 1., 'N2': 3.76} # air composition
fuel_index = gas.species_index(fuel_name)
stoich_nu = gas.n_atoms(fuel_index,
'C') + gas.n_atoms(fuel_index, 'H') / 4.
comp_f = {}
comp_o = {}
comp_f[fuel_name] = 1
for k, v in oxy.items():
comp_o[k] = v
comp_f[k] = v * stoich_nu / phi_f
comp_o[fuel_name] = phi_o / stoich_nu
gas.TPX = tin_f, p, comp_o
dens_o = gas.density
gas.TPX = tin_o, p, comp_f
dens_f = gas.density
# fuel and oxidizer streams have the same velocity
u = strain_rate * width / 2.
# get mass flow rate
mdot_o = u * dens_o
mdot_f = u * dens_f # kg/m^2/s
# Set the state of the two inlets
f.fuel_inlet.mdot = mdot_f
f.fuel_inlet.X = comp_f
f.fuel_inlet.T = tin_f
f.oxidizer_inlet.mdot = mdot_o
f.oxidizer_inlet.X = comp_o
f.oxidizer_inlet.T = tin_o
# Set the boundary emissivities
f.set_boundary_emissivities(0.0, 0.0)
# Turn radiation off
f.radiation_enabled = False
f.set_refine_criteria(ratio=2, slope=0.1, curve=0.1, prune=0.01)
# Solve the problem
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_radiation:
f.radiation_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_soret:
f.soret_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
f.save('{}.xml'.format(case_name))
if np.max(f.T) < np.max((tin_f, tin_o)) + 100:
return 1
else:
return 0
def counterflow_flame(mech='gri30.xml',
transport='Multi',
flag_soret=True,
flag_radiation=False,
fuel={'CH4': 1},
oxy={
'O2': 1,
'N2': 3.76
},
strain_rate=100.,
width=0.01,
p=1.,
phi_f='inf',
phi_o=0.,
tin_f=300.,
tin_o=300.,
solution=None):
################################################################################
# Create the gas object used to evaluate all thermodynamic, kinetic, and
# transport properties.
gas = ct.Solution(mech)
phi_f = float(phi_f)
if phi_f <= 1.:
sys.exit('Equivalence ratio of fuel side {:g}'.format(phi_f))
if phi_o >= 1.:
sys.exit('Equivalence ratio of oxidizer side {:g}'.format(phi_o))
# construct case name
flame_params = {}
flame_params['p'] = p
flame_params['a'] = strain_rate
flame_params['phif'] = phi_f
flame_params['phio'] = phi_o
flame_params['tf'] = tin_f
flame_params['to'] = tin_o
case_name = params2name(flame_params)
p *= ct.one_atm # pressure
################################################################################
#fuel = { 'H2':1., 'N2':1. } # fuel composition
#oxy = {'O2':1., 'N2':3.76} # air composition
Z_element = ['C', 'H', 'O']
for e in Z_element:
if e not in gas.element_names:
Z_element.remove(e)
# get stoichiometric coefficients
element_nu = {'C': 2, 'O': -1, 'H': 0.5}
o_fuel = 0.
for k, v in fuel.items():
for e in gas.element_names:
if e in element_nu.keys():
o_fuel += v * gas.n_atoms(k, e) * element_nu[e]
o_oxy = 0.
for k, v in oxy.items():
for e in gas.element_names:
if e in element_nu.keys():
o_oxy += v * gas.n_atoms(k, e) * element_nu[e]
stoich_nu = -o_fuel / o_oxy
# composition for two streams
comp_f = {}
comp_o = {}
for k in fuel.keys():
comp_f[k] = 0.
comp_o[k] = 0.
for k in oxy.keys():
comp_f[k] = 0.
comp_o[k] = 0.
for k, v in fuel.items():
comp_f[k] += v
comp_o[k] += v * phi_o / stoich_nu
for k, v in oxy.items():
comp_o[k] += v
comp_f[k] += v * stoich_nu / phi_f
# fuel and oxidizer streams have the same velocity
u = strain_rate * width / 2.
# get mass flow rate
gas.TPX = tin_f, p, comp_o
dens_o = gas.density
mdot_o = u * dens_o
gas.TPX = tin_o, p, comp_f
dens_f = gas.density
mdot_f = u * dens_f # kg/m^2/s
# Create an object representing the counterflow flame configuration,
# which consists of a fuel inlet on the left, the flow in the middle,
# and the oxidizer inlet on the right.
f = ct.CounterflowDiffusionFlame(gas, width=width)
if solution is not None:
try:
f.restore(solution, loglevel=0)
except Exception as e:
print(e, 'Start to solve from initialization')
f.transport_model = transport
# Set the state of the two inlets
f.fuel_inlet.mdot = mdot_f
f.fuel_inlet.X = comp_f
f.fuel_inlet.T = tin_f
f.oxidizer_inlet.mdot = mdot_o
f.oxidizer_inlet.X = comp_o
f.oxidizer_inlet.T = tin_o
# Set the boundary emissivities
f.set_boundary_emissivities(0.0, 0.0)
# Turn radiation off
f.radiation_enabled = False
f.set_refine_criteria(ratio=2, slope=0.1, curve=0.1, prune=0.01)
# Solve the problem
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_radiation:
f.radiation_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_soret:
f.soret_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
f.save('{}.xml'.format(case_name))
################################################################################
# post-processing
# Calculate Bilger's mixture fraction
# fuel
gas.TPX = tin_f, p, comp_f
z_f = 0
for e in Z_element:
z_f += (element_nu[e] * gas.elemental_mass_fraction(e) /
gas.atomic_weight(e))
comp_fuel = np.hstack((gas.T, gas.Y))
fuel_str = ' '.join([format(x, '12.6e') for x in comp_fuel])
# oxidizer
gas.TPX = tin_o, p, comp_o
z_o = 0
for e in Z_element:
z_o += (element_nu[e] * gas.elemental_mass_fraction(e) /
gas.atomic_weight(e))
comp_oxy = np.hstack((gas.T, gas.Y))
oxy_str = ' '.join([format(x, '12.6e') for x in comp_oxy])
# stoichiometric mixture
comp_st = {}
for k in fuel.keys():
comp_st[k] = 0.
for k in oxy.keys():
comp_st[k] = 0.
for k, v in fuel.items():
comp_st[k] += v
for k, v in oxy.items():
comp_st[k] += v * stoich_nu
gas.TPX = tin_o, p, comp_st
z_st = 0
for e in Z_element:
z_st += (element_nu[e] * gas.elemental_mass_fraction(e) /
gas.atomic_weight(e))
Zst = (z_st - z_o) / (z_f - z_o)
z = np.zeros(f.T.shape)
for e in Z_element:
z += (element_nu[e] * f.elemental_mass_fraction(e) /
gas.atomic_weight(e))
Z = (z - z_o) / (z_f - z_o)
# thermal diffusivity
alpha = f.thermal_conductivity / (f.cp_mass * f.density)
# kinetic viscosity
nu = f.viscosity / f.density
# a mixture fraction based on fuel stream is pure fuel
gas.TPX = tin_f, p, fuel
z_f = 0
for e in Z_element:
z_f += (element_nu[e] * gas.elemental_mass_fraction(e) /
gas.atomic_weight(e))
gas.TPX = tin_o, p, oxy
z_o = 0
for e in Z_element:
z_o += (element_nu[e] * gas.elemental_mass_fraction(e) /
gas.atomic_weight(e))
Z1st = (z_st - z_o) / (z_f - z_o)
z = np.zeros(f.T.shape)
for e in Z_element:
z += (element_nu[e] * f.elemental_mass_fraction(e) /
gas.atomic_weight(e))
Z1 = (z - z_o) / (z_f - z_o)
# heat release rate
Q = f.heat_release_rate
################################################################################
# output
data = np.column_stack((f.grid, f.T, f.Y.transpose(), Z, Z1, Q, alpha, nu))
data_names = (['grid', 'T'] + gas.species_names +
['Z', 'Z1', 'Q', 'alpha', 'nu'])
np.savetxt('{}.dat'.format(case_name),
data,
header=('FUEL: {0}\nOXIDIZER: {1}\n'.format(fuel_str, oxy_str) +
'Zst = {:g}; Z1st = {:g}\n'.format(Zst, Z1st) +
' '.join(data_names)),
comments='')
if np.max(f.T) < np.max((tin_f, tin_o)) + 100:
return 1
else:
return 0
def counterflow_flame(mech='gri30.xml',
transport='Multi',
flag_soret=True,
flag_radiation=False,
fuel_name='CH4',
strain_rate=100.,
width=0.01,
p=1.,
phi_f='inf',
phi_o=0.,
tin_f=300.,
tin_o=300.,
solution=None):
################################################################################
# Create the gas object used to evaluate all thermodynamic, kinetic, and
# transport properties.
gas = ct.Solution(mech)
phi_f = float(phi_f)
if phi_f <= 1.:
sys.exit('Equivalence ratio of fuel side {:g}'.format(phi_f))
if phi_o >= 1.:
sys.exit('Equivalence ratio of oxidizer side {:g}'.format(phi_o))
# construct case name
flame_params = {}
flame_params['F'] = fuel_name
flame_params['p'] = p
flame_params['a'] = strain_rate
flame_params['phif'] = phi_f
flame_params['phio'] = phi_o
flame_params['tf'] = tin_f
flame_params['to'] = tin_o
# flame_params_str = []
# for k, v in flame_params.items():
# try:
# param_str = '{0}-{1:g}'.format(k,v)
# except ValueError:
# param_str = '{0}-{1}'.format(k,v)
# flame_params_str.append(param_str)
#
# case_name = '_'.join(flame_params_str)
case_name = params2name(flame_params)
p *= ct.one_atm # pressure
# if phi_f < 10.0:
# case_name = '{0}_p{1:g}_a{2:g}_phif{3:g}_phio{4:g}_tf{5:g}_to{6:g}'\
# .format(fuel_name,p/ct.one_atm,strain_rate,
# phi_f,phi_o,tin_f,tin_o)
# else:
# case_name = '{0}_p{1:g}_a{2:g}_phifinf_phio{3:g}_tf{4:g}_to{5:g}'\
# .format(fuel_name,p/ct.one_atm,strain_rate,
# phi_f,phi_o,tin_f,tin_o)
#
## parameters of the counterflow flame
## a = (U_f+U+o)/width
#strain_rate = 100 # 1/s
#
#width = 0.01 # Distance between inlets is 2 cm
#
## single fuel
#fuel_name = 'CH4'
#
#phi_f = 1.7 # equivalence ratio of the fuel side stream
#phi_o = 0. # equivalence ratio of the oxidizer side stream
#
#tin_f = 300.0 # fuel inlet temperature
#tin_o = 300.0 # oxidizer inlet temperature
#
################################################################################
oxy = {'O2': 1., 'N2': 3.76} # air composition
fuel_index = gas.species_index(fuel_name)
stoich_nu = gas.n_atoms(fuel_index,
'C') + gas.n_atoms(fuel_index, 'H') / 4.
comp_f = {}
comp_o = {}
comp_f[fuel_name] = 1
for k, v in oxy.items():
comp_o[k] = v
comp_f[k] = v * stoich_nu / phi_f
comp_o[fuel_name] = phi_o
# fuel and oxidizer streams have the same velocity
u = strain_rate * width / 2.
# get mass flow rate
gas.TPX = tin_f, p, comp_o
dens_o = gas.density
mdot_o = u * dens_o
gas.TPX = tin_o, p, comp_f
dens_f = gas.density
mdot_f = u * dens_f # kg/m^2/s
# Create an object representing the counterflow flame configuration,
# which consists of a fuel inlet on the left, the flow in the middle,
# and the oxidizer inlet on the right.
f = ct.CounterflowDiffusionFlame(gas, width=width)
if solution is not None:
try:
f.restore(solution, loglevel=0)
except Exception as e:
print(e, 'Start to solve from initialization')
f.transport_model = transport
# Set the state of the two inlets
f.fuel_inlet.mdot = mdot_f
f.fuel_inlet.X = comp_f
f.fuel_inlet.T = tin_f
f.oxidizer_inlet.mdot = mdot_o
f.oxidizer_inlet.X = comp_o
f.oxidizer_inlet.T = tin_o
# Set the boundary emissivities
f.set_boundary_emissivities(0.0, 0.0)
# Turn radiation off
f.radiation_enabled = False
f.set_refine_criteria(ratio=2, slope=0.1, curve=0.1, prune=0.01)
# Solve the problem
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_radiation:
f.radiation_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
if flag_soret:
f.soret_enabled = True
try:
f.solve(loglevel=0, auto=True)
except Exception as e:
print('Error: not converge for case:', e)
return -1
f.save('{}.xml'.format(case_name))
################################################################################
# post-processing
# Calculate Bilger's mixture fraction
# fuel
gas.TPX = tin_f, p, comp_f
YC_f = gas.elemental_mass_fraction('C')
YH_f = gas.elemental_mass_fraction('H')
YO_f = gas.elemental_mass_fraction('O')
comp_fuel = np.hstack((gas.T, gas.Y))
fuel_str = ' '.join([format(x, '12.6e') for x in comp_fuel])
# oxidizer
gas.TPX = tin_o, p, comp_o
YC_o = gas.elemental_mass_fraction('C')
YH_o = gas.elemental_mass_fraction('H')
YO_o = gas.elemental_mass_fraction('O')
comp_oxy = np.hstack((gas.T, gas.Y))
oxy_str = ' '.join([format(x, '12.6e') for x in comp_oxy])
# stoichiometric mixture
comp_st = {}
comp_st[fuel_name] = 1
for k, v in oxy.items():
comp_st[k] = v * stoich_nu
gas.TPX = tin_o, p, comp_st
YC_st = gas.elemental_mass_fraction('C')
YH_st = gas.elemental_mass_fraction('H')
YO_st = gas.elemental_mass_fraction('O')
Zst = (2.*(YC_st-YC_o)/gas.atomic_weight('C')
+(YH_st-YH_o)/2./gas.atomic_weight('H')
-(YO_st-YO_o)/gas.atomic_weight('O')) / \
(2.*(YC_f-YC_o)/gas.atomic_weight('C')
+(YH_f-YH_o)/2./gas.atomic_weight('H')
-(YO_f-YO_o)/gas.atomic_weight('O'))
YC = f.elemental_mass_fraction('C')
YH = f.elemental_mass_fraction('H')
YO = f.elemental_mass_fraction('O')
Z = (2.*(YC-YC_o)/gas.atomic_weight('C')
+(YH-YH_o)/2./gas.atomic_weight('H')
-(YO-YO_o)/gas.atomic_weight('O')) / \
(2.*(YC_f-YC_o)/gas.atomic_weight('C')
+(YH_f-YH_o)/2./gas.atomic_weight('H')
-(YO_f-YO_o)/gas.atomic_weight('O'))
# thermal diffusivity
alpha = f.thermal_conductivity / (f.cp_mass * f.density)
# kinetic viscosity
nu = f.viscosity / f.density
# a mixture fraction based on fuel stream is pure CH4
gas.TPX = tin_f, p, {fuel_name: 1}
YC_f = gas.elemental_mass_fraction('C')
YH_f = gas.elemental_mass_fraction('H')
YO_f = gas.elemental_mass_fraction('O')
gas.TPX = tin_o, p, oxy
YC_o = gas.elemental_mass_fraction('C')
YH_o = gas.elemental_mass_fraction('H')
YO_o = gas.elemental_mass_fraction('O')
Z1st = (2.*(YC_st-YC_o)/gas.atomic_weight('C')
+(YH_st-YH_o)/2./gas.atomic_weight('H')
-(YO_st-YO_o)/gas.atomic_weight('O')) / \
(2.*(YC_f-YC_o)/gas.atomic_weight('C')
+(YH_f-YH_o)/2./gas.atomic_weight('H')
-(YO_f-YO_o)/gas.atomic_weight('O'))
Z1 = (2.*(YC-YC_o)/gas.atomic_weight('C')
+(YH-YH_o)/2./gas.atomic_weight('H')
-(YO-YO_o)/gas.atomic_weight('O')) / \
(2.*(YC_f-YC_o)/gas.atomic_weight('C')
+(YH_f-YH_o)/2./gas.atomic_weight('H')
-(YO_f-YO_o)/gas.atomic_weight('O'))
# progress variable
# C_o: mass fractio of O in products CO2, CO, H2O
# C_4spe: mass fraction of CO2, CO, H2O, H2
# C_2spe: mass fraction of CO2 and CO
index_H2O = gas.species_index('H2O')
index_CO2 = gas.species_index('CO2')
index_CO = gas.species_index('CO')
index_H2 = gas.species_index('H2')
MW_H2O = gas.molecular_weights[index_H2O]
MW_CO2 = gas.molecular_weights[index_CO2]
MW_CO = gas.molecular_weights[index_CO]
MW_H2 = gas.molecular_weights[index_H2]
C_o = gas.atomic_weight('O') * (f.Y[index_H2O] / MW_H2O +
2. * f.Y[index_CO2] / MW_CO2 +
f.Y[index_CO] / MW_CO)
C_4spe = f.Y[index_CO2] + f.Y[index_CO] + f.Y[index_H2O] + f.Y[index_H2]
C_2spe = f.Y[index_CO2] + f.Y[index_CO]
# heat release rate
Q = f.heat_release_rate
################################################################################
# output
data = np.column_stack((f.grid, f.T, f.Y.transpose(), Z, Z1, C_o, C_4spe,
C_2spe, Q, alpha, nu))
data_names = (['grid', 'T'] + gas.species_names +
['Z', 'Z1', 'C_o', 'C_4spe', 'C_2spe', 'Q', 'alpha', 'nu'])
np.savetxt('{}.dat'.format(case_name),
data,
header=('FUEL: {0}\nOXIDIZER: {1}\n'.format(fuel_str, oxy_str) +
'Zst = {:g}; Z1st = {:g}\n'.format(Zst, Z1st) +
' '.join(data_names)),
comments='')
if np.max(f.T) < np.max((tin_f, tin_o)) + 100:
return 1
else:
return 0