gas_eq = ct.Solution(input_file)
#Load gas phase at inlet conditions
gas_in = ct.Solution(input_file)
gas_in.TPX = 273.15, 1e05, X_in
#Inlet mass flow rate [kg/s] at 3 SLPM
mdot0 = 3 * 1.66667e-5 * gas_in.density
#Temperature range to simulate
Trange = [T_in]
Trange = list(np.linspace(273.15 + 300, 273.15 + 700, 50))
#u_in = np.geomspace(1,1e05,len(Trange))*1.0
#Initialize reactor
r = pfr.PlugFlowReactor(gas, z_out=0.01, diam=0.01520)
#Initialize reacting wall
rs = pfr.ReactingSurface(r, surf, cat_area_pvol=1.75e04)
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
tcovs=1e03,
atol=1e-10,
rtol=1e-06,
grid=250,
max_steps=5000,
solver_type='dae')
#Create dict to store results at each temperature
temp = {
length = 0.6 #Axial length [m]
tube_d = 0.0508 #Reactor diameter [m]
carea = np.pi / 4 * tube_d**2 #Reactor cross-sectional area [m**2]
#Wall area [m**2]
wallarea = np.pi * tube_d * length
#Catalytic area per volume [m**-]
cat_area_pvol = wallarea / (length * carea)
#Volumetric flow [m**3/s]
vdot_in = 0.02337
u_in = vdot_in / carea
#Initialize reactor
r = pfr.PlugFlowReactor(gas, momentum=1, z_out=length, diam=tube_d)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r,
surf,
bulk=[bulk_n, bulk_si],
cat_area_pvol=cat_area_pvol)
#Set inlet thermo state
r.TPX = T_in, P_in, X_in
#Set inlet mass flow rate [kg/s]
r.u = u_in
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
carea = np.pi * 0.0195**2 / 4
#Total inlet mass flow rate [kg/s] at 5 SLPM
mdot_tot = 5 * 1.66667e-5 * gas_in.density
#Monolith properties:
dcell = 1e-03 #Monolith cell size [m]
porosity = 0.7 #Monolith porosity [-]
sv = 4 * porosity / dcell #Monolith specific surface [m**-1]
#Initialize reactor
r = pfr.PlugFlowReactor(gas,
energy=1,
momentum=0,
z_out=0.01,
diam=0.0195,
support_type='honeycomb',
sp_area=sv,
porosity=0.7,
dc=1e-03,
ext_mt=0)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r,
surf,
cat_area_pvol=sv * 8.5,
int_mt=1,
lim_species=wc_spc,
thickness=4e-05,
pore_diam=2.5e-08,
epsilon=0.3,
tortuosity=5)
#Inlet gas solution object
gas_in = ct.Solution(input_file)
gas_in.TPX = 273.15, 1e05, X_in
#Inlet mass flow rate [kg/s] at 3 SLPM
mdot0 = 3 * 1.66667e-5 * gas_in.density
#Temperature range to simulate
Trange = [T_in]
Trange = list(np.linspace(273.15 + 300, 273.15 + 700, 30))
#Catalytic area per volume [m**-1]
cat_area = 1.75e04
#Initialize reactors
r0 = pfr.PlugFlowReactor(gas0, energy=0, z_out=0.01, diam=0.01520)
r = pfr.PlugFlowReactor(gas, energy=0, z_out=0.01, diam=0.01520)
#Initialize the reacting wall
rs0 = pfr.ReactingSurface(r0, surf0, cat_area_pvol=cat_area)
rs = pfr.ReactingSurface(r, surf, cat_area_pvol=cat_area)
#Create a ReactorSolver object
sim0 = pfr.ReactorSolver(r0,
tcovs=1e03,
atol=1e-12,
rtol=1e-07,
grid=100,
max_steps=5000,
T_in = 668
P_in = 101325.0
#Inlet gas solution object
gas_in = ct.Solution(input_file)
gas_in.TPX = 273.15, 1e05, X_in
#Inlet mass flow rate [kg/s] at 0.12 SLPM
mdot0 = 0.12 * 1.66667e-5 * gas_in.density
#temperature range to simulate
Trange = [T_in]
Trange = np.linspace(273.15 + 300, 273.15 + 400, 10)
#Initialize reactor
r = pfr.PlugFlowReactor(gas, energy=0, z_out=0.01, diam=0.012)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r, surf, bulk=[bulk], cat_area_pvol=7e04)
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
tcovs=1e03,
atol=1e-14,
rtol=1e-06,
grid=300,
max_steps=5000,
solver_type='dae')
#Ethanol index
et_idx = r.gas.species_index('CH3CH2OH')
#Channel cross-sectional area [m**2]
carea_c = np.pi * dcell**2 / 4
#Total inlet mass flow rate [kg/s] at 5 SLPM
mdot_tot = 5 * 1.66667e-5 * gas_in.density
#Single channel inlet mass flow rate [kg/s]
mdot0 = mdot_tot * carea_c / carea
#Initialize reactor
r0 = pfr.PlugFlowReactor(
gas,
energy=1,
z_out=length,
diam=dcell,
support_type='honeycomb',
porosity=1.0, #Simulates a clear channel
dc=dcell,
ext_mt=0)
r = pfr.PlugFlowReactor(
gas,
energy=1,
z_out=length,
diam=dcell,
support_type='honeycomb',
porosity=1.0, #Simulates a clear channel
dc=dcell,
ext_mt=0)
import time
start = time.time()
#### Input mechanism data ####:
input_file = 'diesel_surrogate_reduced_mech.cti'
#### Current thermo state ####:
X_in = {'C12H24-1': 1.0, 'O2': 18 / 1.576}
T_in = 680
P_in = 9.718e06
#Load Cantera solution objects
gas = ct.Solution(input_file)
#Initialize reactor
r = pfr.PlugFlowReactor(gas, energy=1, momentum=0, z_out=2, diam=1.25)
#Reactor current thermo state
r.TPX = T_in, P_in, X_in
#Set reactor mass flow rate [kg/s]
r.mdot = 271.4
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r, atol=1e-08, rtol=1e-06, grid=80000, max_steps=1000)
#Solve the reactor
sim.solve()
#Gas molar fractions, temperature and pressure along the reactor
mdot = sim.mdot
#Monolith cross-sectional area [m**2]
Ac = np.pi / 4.0 * 0.019**2
#Total volumetric flow rate is 4 SLPM
vdot_in = 4.0 * 1.66667e-5 #[m**3/s]
u_in = vdot_in / Ac
#Catalytic active area per reactor volume [m**-1]
cat_area_pvol = 3.5e02
#Initialize reactor
r = pfr.PlugFlowReactor(gas,
z_out=0.001,
diam=d_channel,
support_type='foam',
sp_area=3e03,
dc=1e-04,
porosity=0.8,
ext_mt=1)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r, surf, cat_area_pvol=cat_area_pvol)
#Set inlet thermo state
r.TPX = T_in, P_in, X_in
#Set inlet velocity [m/s]
r.u = u_in
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
u_in_600 = 5
#Inlet gas properties @600 K
gas_600 = ct.Solution(input_file)
gas_600.TPX = 600, P_in, X_in
gas_600.transport_model = 'Mix'
#Compute inlet mass flow rate @600 K
vdot_in = carea * u_in_600 #Volumetric flow rate [m**3/s]
mdot_in = vdot_in * gas_600.density #Mass flow rate [kg/s]
#Compute Reynolds number (at inlet conditions)
Re = gas_600.density * u_in_600 * tube_d / gas_600.viscosity
#Initialize reactor
r1 = pfr.PlugFlowReactor(gas, z_in=0.01, z_out=0.1, diam=tube_d)
#Initialize the reacting wall
rwall1 = pfr.ReactingSurface(r1, surf, cat_area_pvol=cat_area_pvol)
#Set inlet thermo state
r1.TPX = T_in, P_in, X_in
#Set inlet mass flow rate [kg/s]
r1.mdot = mdot_in
#Create a ReactorSolver object
sim1 = pfr.ReactorSolver(r1,
atol=1e-10,
rtol=1e-08,
grid=300,
#### Current thermo state ####:
X_in = 'C2H5OH:0.0565, O2:0.02786, N2:0.96649'
T_in = 1100.0
P_in = 101325.0
#Load Cantera solution objects
gas = ct.Solution(input_file)
#Reactor parameters:
carea = 1e-04
tube_d = np.sqrt(4*carea/np.pi)
#Initialize reactor
r = pfr.PlugFlowReactor(gas,
energy = 1,
momentum = 0,
z_out = 0.01,
diam = tube_d)
#Reactor current thermo state
r.TPX = T_in, P_in, X_in
#Set reactor inlet flow velocity [m/s]
r.u = 0.167
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
atol = 1e-15,
rtol = 1e-08,
grid = 300,
max_steps = 1000,
#Load gas phase at inlet conditions
gas_in = ct.Solution(input_file)
gas_in.TPX = 273.15, 1e05, X_in
#Inlet mass flow rate [kg/s] at 3 SLPM
mdot0 = 3 * 1.66667e-5 * gas_in.density
#Temperature range to simulate
Trange = [T_in]
#Trange = list(np.linspace(273.15+300,273.15+700,30))
#Initialize reactor
r0 = pfr.PlugFlowReactor(gas,
z_out=length,
diam=diam,
sp_area=sv,
support_type='foam',
porosity=porosity,
dc=ds_foam,
ext_mt=0)
r = pfr.PlugFlowReactor(gas,
z_out=length,
diam=diam,
sp_area=sv,
support_type='foam',
porosity=porosity,
dc=ds_foam,
ext_mt=0)
#Initialize reacting wall
rs0 = pfr.ReactingSurface(r0,
#Load phases solution objects
gas = ct.Solution(input_file)
surf = ct.Interface(input_file, surf_name, [gas])
#### Inlet thermo state ####:
T_in = 773.15 #Inlet temperature [K]
P_in = 101325.0
#Inlet molar composition:
X_in = {'CH4': 1, 'O2': 1.5, 'AR': 5}
#Reactor diameter [m]:
tube_d = np.sqrt(4 * 1e-04 / np.pi)
carea = np.pi * tube_d**2 / 4
#Initialize reactor
r = pfr.PlugFlowReactor(gas, energy=1, z_out=0.001, diam=tube_d)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r, surf, cat_area_pvol=355)
#Set inlet thermo state
r.TPX = T_in, P_in, X_in
#Set inlet velocity [m/s]
r.u = 0.005
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
atol=1e-15,
rtol=1e-05,
grid=1000,
