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[samples] Update samples

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This commit is contained in:
Ingmar Schoegl 2023-06-24 20:30:58 -06:00 committed by Ray Speth
parent cdcc3dd06b
commit 6ccefab009
5 changed files with 15 additions and 17 deletions
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8
samples/python/reactors/combustor.py
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@ -11,7 +11,7 @@ depends on variables other than time by capturing these variables from the
enclosing scope. Also shows the use of a PressureController to create a constant enclosing scope. Also shows the use of a PressureController to create a constant
pressure reactor with a fixed volume. pressure reactor with a fixed volume.
Requires: cantera >= 2.5.0, matplotlib >= 2.0 Requires: cantera >= 3.0, matplotlib >= 2.0
Keywords: combustion, reactor network, well-stirred reactor, plotting Keywords: combustion, reactor network, well-stirred reactor, plotting
""" """
@ -54,11 +54,11 @@ def mdot(t):
inlet_mfc = ct.MassFlowController(inlet, combustor, mdot=mdot) inlet_mfc = ct.MassFlowController(inlet, combustor, mdot=mdot)
# A PressureController has a baseline mass flow rate matching the 'master' # A PressureController has a baseline mass flow rate matching the 'primary'
# MassFlowController, with an additional pressure-dependent term. By explicitly # MassFlowController, with an additional pressure-dependent term. By explicitly
# including the upstream mass flow rate, the pressure is kept constant without # including the upstream mass flow rate, the pressure is kept constant without
# needing to use a large value for 'K', which can introduce undesired stiffness. # needing to use a large value for 'K', which can introduce undesired stiffness.
outlet_mfc = ct.PressureController(combustor, exhaust, master=inlet_mfc, K=0.01) outlet_mfc = ct.PressureController(combustor, exhaust, primary=inlet_mfc, K=0.01)
# the simulation only contains one reactor # the simulation only contains one reactor
sim = ct.ReactorNet([combustor]) sim = ct.ReactorNet([combustor])
@ -69,7 +69,7 @@ states = ct.SolutionArray(gas, extra=['tres'])
residence_time = 0.1 # starting residence time residence_time = 0.1 # starting residence time
while combustor.T > 500: while combustor.T > 500:
sim.set_initial_time(0.0) # reset the integrator sim.initial_time = 0.0 # reset the integrator
sim.advance_to_steady_state() sim.advance_to_steady_state()
print('tres = {:.2e}; T = {:.1f}'.format(residence_time, combustor.T)) print('tres = {:.2e}; T = {:.1f}'.format(residence_time, combustor.T))
states.append(combustor.thermo.state, tres=residence_time) states.append(combustor.thermo.state, tres=residence_time)

4
samples/python/reactors/custom2.py
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@ -14,7 +14,7 @@ acceleration is proportional to the pressure difference, and the velocity is
determined by integrating the equation of motion. This requires adding a new determined by integrating the equation of motion. This requires adding a new
variable to the reactor's state vector which represents the wall velocity. variable to the reactor's state vector which represents the wall velocity.
Requires: cantera >= 2.6.0, matplotlib >= 2.0 Requires: cantera >= 3.0, matplotlib >= 2.0
Keywords: combustion, reactor network, user-defined model, plotting Keywords: combustion, reactor network, user-defined model, plotting
""" """
@ -47,7 +47,7 @@ class InertialWallReactor(ct.ExtensibleIdealGasReactor):
# This method is used to set the state of the Reactor and Wall objects # This method is used to set the state of the Reactor and Wall objects
# based on the new values for the state vector provided by the ODE solver # based on the new values for the state vector provided by the ODE solver
self.v_wall = y[self.i_wall] self.v_wall = y[self.i_wall]
self.walls[0].set_velocity(self.v_wall) self.walls[0].velocity = self.v_wall
def after_eval(self, t, LHS, RHS): def after_eval(self, t, LHS, RHS):
# Calculate the time derivative for the additional equation # Calculate the time derivative for the additional equation

11
samples/python/reactors/ic_engine.py
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@ -1,4 +1,3 @@
# -*- coding: utf-8 -*-
""" """
Simulation of a (gaseous) Diesel-type internal combustion engine. Simulation of a (gaseous) Diesel-type internal combustion engine.
@ -6,7 +5,7 @@ The simulation uses n-Dodecane as fuel, which is injected close to top dead
center. Note that this example uses numerous simplifying assumptions and center. Note that this example uses numerous simplifying assumptions and
thus serves for illustration purposes only. thus serves for illustration purposes only.
Requires: cantera >= 2.5.0, scipy >= 0.19, matplotlib >= 2.0 Requires: cantera >= 3.0, scipy >= 0.19, matplotlib >= 2.0
Keywords: combustion, thermodynamics, internal combustion engine, Keywords: combustion, thermodynamics, internal combustion engine,
thermodynamic cycle, reactor network, plotting, pollutant formation thermodynamic cycle, reactor network, plotting, pollutant formation
""" """
@ -110,7 +109,7 @@ inlet = ct.Reservoir(gas)
inlet_valve = ct.Valve(inlet, cyl) inlet_valve = ct.Valve(inlet, cyl)
inlet_delta = np.mod(inlet_close - inlet_open, 4 * np.pi) inlet_delta = np.mod(inlet_close - inlet_open, 4 * np.pi)
inlet_valve.valve_coeff = inlet_valve_coeff inlet_valve.valve_coeff = inlet_valve_coeff
inlet_valve.set_time_function( inlet_valve.time_function = (
lambda t: np.mod(crank_angle(t) - inlet_open, 4 * np.pi) < inlet_delta) lambda t: np.mod(crank_angle(t) - inlet_open, 4 * np.pi) < inlet_delta)
# define injector state (gaseous!) # define injector state (gaseous!)
@ -122,7 +121,7 @@ injector_mfc = ct.MassFlowController(injector, cyl)
injector_delta = np.mod(injector_close - injector_open, 4 * np.pi) injector_delta = np.mod(injector_close - injector_open, 4 * np.pi)
injector_t_open = (injector_close - injector_open) / 2. / np.pi / f injector_t_open = (injector_close - injector_open) / 2. / np.pi / f
injector_mfc.mass_flow_coeff = injector_mass / injector_t_open injector_mfc.mass_flow_coeff = injector_mass / injector_t_open
injector_mfc.set_time_function( injector_mfc.time_function = (
lambda t: np.mod(crank_angle(t) - injector_open, 4 * np.pi) < injector_delta) lambda t: np.mod(crank_angle(t) - injector_open, 4 * np.pi) < injector_delta)
# define outlet pressure (temperature and composition don't matter) # define outlet pressure (temperature and composition don't matter)
@ -133,7 +132,7 @@ outlet = ct.Reservoir(gas)
outlet_valve = ct.Valve(cyl, outlet) outlet_valve = ct.Valve(cyl, outlet)
outlet_delta = np.mod(outlet_close - outlet_open, 4 * np.pi) outlet_delta = np.mod(outlet_close - outlet_open, 4 * np.pi)
outlet_valve.valve_coeff = outlet_valve_coeff outlet_valve.valve_coeff = outlet_valve_coeff
outlet_valve.set_time_function( outlet_valve.time_function = (
lambda t: np.mod(crank_angle(t) - outlet_open, 4 * np.pi) < outlet_delta) lambda t: np.mod(crank_angle(t) - outlet_open, 4 * np.pi) < outlet_delta)
# define ambient pressure (temperature and composition don't matter) # define ambient pressure (temperature and composition don't matter)
@ -143,7 +142,7 @@ ambient_air = ct.Reservoir(gas)
# piston is modeled as a moving wall # piston is modeled as a moving wall
piston = ct.Wall(ambient_air, cyl) piston = ct.Wall(ambient_air, cyl)
piston.area = A_piston piston.area = A_piston
piston.set_velocity(piston_speed) piston.velocity = piston_speed
# create a reactor network containing the cylinder and limit advance step # create a reactor network containing the cylinder and limit advance step
sim = ct.ReactorNet([cyl]) sim = ct.ReactorNet([cyl])

5
samples/python/reactors/pfr.py
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@ -1,10 +1,9 @@
# -*- coding: utf-8 -*-
""" """
This example solves a plug-flow reactor problem of hydrogen-oxygen combustion. This example solves a plug-flow reactor problem of hydrogen-oxygen combustion.
The PFR is computed by two approaches: The simulation of a Lagrangian fluid The PFR is computed by two approaches: The simulation of a Lagrangian fluid
particle, and the simulation of a chain of reactors. particle, and the simulation of a chain of reactors.
Requires: cantera >= 2.5.0, matplotlib >= 2.0 Requires: cantera >= 3.0, matplotlib >= 2.0
Keywords: combustion, reactor network, plug flow reactor Keywords: combustion, reactor network, plug flow reactor
""" """
@ -109,7 +108,7 @@ m = ct.MassFlowController(upstream, r2, mdot=mass_flow_rate2)
# We need an outlet to the downstream reservoir. This will determine the # We need an outlet to the downstream reservoir. This will determine the
# pressure in the reactor. The value of K will only affect the transient # pressure in the reactor. The value of K will only affect the transient
# pressure difference. # pressure difference.
v = ct.PressureController(r2, downstream, master=m, K=1e-5) v = ct.PressureController(r2, downstream, primary=m, K=1e-5)
sim2 = ct.ReactorNet([r2]) sim2 = ct.ReactorNet([r2])

4
samples/python/reactors/surf_pfr_chain.py
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@ -5,7 +5,7 @@ methane over a platinum catalyst in a packed bed reactor. To avoid needing to so
DAE system, the PFR is approximated as a chain of successive WSRs. See surf_pfr.py DAE system, the PFR is approximated as a chain of successive WSRs. See surf_pfr.py
for a more advanced implementation that solves the DAE system directly. for a more advanced implementation that solves the DAE system directly.
Requires: cantera >= 2.5.0 Requires: cantera >= 3.0
Keywords: catalysis, reactor network, surface chemistry, plug flow reactor, Keywords: catalysis, reactor network, surface chemistry, plug flow reactor,
packed bed reactor packed bed reactor
""" """
@ -95,7 +95,7 @@ m = ct.MassFlowController(upstream, r, mdot=mass_flow_rate)
# We need an outlet to the downstream reservoir. This will determine the # We need an outlet to the downstream reservoir. This will determine the
# pressure in the reactor. The value of K will only affect the transient # pressure in the reactor. The value of K will only affect the transient
# pressure difference. # pressure difference.
v = ct.PressureController(r, downstream, master=m, K=1e-5) v = ct.PressureController(r, downstream, primary=m, K=1e-5)
sim = ct.ReactorNet([r]) sim = ct.ReactorNet([r])