#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': [],
'co_conv_eq': [],
'tau': [],
'qf': [],
'qb': []
}
#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')
#Solve the PFR
sim.solve()
#Gas molar fractions, temperature and pressure along the reactor
zcoord = sim.z * 1e03
covs = sim.coverages
Xg = sim.X
Pg = sim.P
uz = sim.u
rho = sim.rho
rt = sim.rtime
mdot = sim.mdot
#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)
#Create lists to store results at each temperature
output = []
neff = []
X_eq = []
#Loop over temperature range
for temp in Trange:
#Current inlet temperature
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 Pg = sim.P Tg = sim.T Xg = sim.X uz = sim.u rho = sim.rho #Axial coordinates zcoord = sim.z
#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,
rtol=1e-07,
grid=100,
max_steps=5000,
solver_type='dae')
#Ethanol index
co_idx = r.gas.species_index('CO')
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')
#Solve the PFR
sim.solve()
#Gas results
zcoord = sim.z
covs = sim.coverages
Xg = sim.X
#Print time elapsed
print('It took {0:0.8f} seconds'.format(time.time() - start))
vis = 1
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,
surf_wc=surf_wc,
ngrid=15,
stch=1.1)
#Create a ReactorSolver object
sim0 = pfr.ReactorSolver(r0,
tcovs=1e05,
atol=1e-10,
rtol=1e-07,
grid=200,
solver_type='dae')
sim = pfr.ReactorSolver(r,
tcovs=1e05,
atol=1e-10,
rtol=1e-05,
grid=200,
solver_type='dae')
#CO index
co_idx = gas.species_index('CO')
#Create lists to store results at each temperature
output0 = []
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',
implementation='assimulo')
#Solve the PFR
sim.solve()
#Gas results
zcoord = sim.z
covs = sim.coverages
Xg = sim.X
#Print time elapsed
print('It took {0:0.8f} seconds'.format(time.time() - start))
#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')
#Solve the PFR
sim1.solve()
#Gas molar fractions, temperature and pressure along the reactor
covs1 = sim1.coverages
Yg1 = sim1.Y
uz1 = sim1.u
rho1 = sim1.rho
#Axial coordinates [cm]
zcoord = sim1.z * 1e02
vdot_in = np.geomspace(20, 1.0, 15)
#Inlet mass flow rate [kg/s] at variable SLPM
mdot_in = list(vdot_in * 1.66667e-5 * gas_in.density)
#Initialize reactor
r = pfr.PlugFlowReactor(gas, energy=0, z_out=0.004, diam=0.01)
#Initialize the reacting wall
rs = pfr.ReactingSurface(r, surf, bulk=[bulk], cat_area_pvol=30)
#Create a ReactorSolver object
sim = pfr.ReactorSolver(r,
tcovs=1e02,
atol=1e-14,
rtol=1e-07,
grid=300,
max_steps=5000,
solver_type='dae')
#CO index
et_idx = r.gas.species_index('CH3CH2OH')
#Create lists to store results at each temperature
X = []
C = []
covs = []
et_conv = []
#Loop over temperature range
for m in mdot_in:
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,
solver_type = 'ode')
#Solve the PFR
sim.solve()
#Gas molar fractions, temperature and pressure along the reactor
Pg = sim.P
Tg = sim.T
Xg = sim.X
#Axial coordinates
zcoord = sim.z
#Print time elapsed
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',
implementation='assimulo')
#Solve the PFR
sim1.solve()
#Gas molar fractions, temperature and pressure along the reactor
covs1 = sim1.coverages
Yg1 = sim1.Y
uz1 = sim1.u
rho1 = sim1.rho
#Axial coordinates [cm]
zcoord = sim1.z * 1e02
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,
max_steps=1000,
solver_type='dae',
implementation='assimulo')
#Solve the PFR
sim.solve()
#Gas molar fractions, temperature and pressure along the reactor
zcoord = sim.z * 1e03
covs = sim.coverages
Xg = sim.X
Tg = sim.T
uz = sim.u
rho = sim.rho
mdot = sim.mdot
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,
max_steps = 1000,
solver_type = 'dae')
#Solve the PFR
sim.solve()
#Gas molar fractions, temperature and pressure along the reactor
zcoord = sim.z*1e03
covs = sim.coverages
Xg = sim.X
Tg = sim.T
uz = sim.u
rho = sim.rho
mdot = sim.mdot
