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 = {
'Xg': [],
'covs': [],
'co_conv': [],
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)
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
tcovs=1e5,
atol=1e-09,
rtol=1e-07,
grid=300,
solver_type='dae')
#Set up equilibrium gas phase
gas_eq = ct.Solution(input_file)
gas_in.TPX = 273.15, P_in, X_in
#Inlet mass flow rate [kg/s] at 0.3-30 SLPM
vdot0 = np.array([0.03, 0.3, 3, 30, 300, 3000])
mdot0 = vdot0 * 1.66667e-5 * gas_in.density
#Temperature range to simulate
#Trange = [T_in]
Trange = list(np.linspace(273.15 + 300, 273.15 + 700, 60))
#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, bulk=[bulk], cat_area_pvol=7e03)
#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
out = {'Xg': [], 'covs': [], 'co_conv': [], 'co_conv_eq': [], 'tau': []}
#CO index
co_idx = r.gas.species_index('CO')
#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,
atol=1e-08,
rtol=1e-06,
grid=7,
max_steps=1000,
solver_type='dae')
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,
solver_type='dae')
sim = pfr.ReactorSolver(r,
tcovs=1e03,
atol=1e-12,
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)
#Initialize the reacting wall
rs0 = pfr.ReactingSurface(r0,
surf,
cat_area_pvol=cat_area_pvol,
int_mt=1,
lim_species='CO',
thickness=wc.thickness,
pore_diam=wc.pore_diam,
epsilon=wc.epsilon,
tortuosity=wc.tortuosity)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r,
surf,
cat_area_pvol=cat_area_pvol,
int_mt=2,
thickness=wc.thickness,
pore_diam=wc.pore_diam,
epsilon=wc.epsilon,
tortuosity=wc.tortuosity,
gas_wc=gas_wc,
#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,
atol=1e-14,
rtol=1e-06,
grid=300,
tcovs=1e04,
solver_type='dae')
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,
max_steps=1000,
solver_type='dae')
