def test_config():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": True,
"time_set": [0, 3600],
"time_units": pyunits.s})
# Set up thermo props and reaction props
m.fs.gas_props = GasPhaseParameterBlock()
m.fs.solid_props = SolidPhaseParameterBlock()
m.fs.solid_rxns = HeteroReactionParameterBlock(
default={"solid_property_package": m.fs.solid_props,
"gas_property_package": m.fs.gas_props})
m.fs.unit = FixedBed0D(
default={"gas_property_package": m.fs.gas_props,
"solid_property_package": m.fs.solid_props,
"reaction_package": m.fs.solid_rxns})
# Check unit config arguments
assert len(m.fs.unit.config) == 9
assert m.fs.unit.config.dynamic is True
assert m.fs.unit.config.has_holdup is True
assert m.fs.unit.config.energy_balance_type == \
EnergyBalanceType.enthalpyTotal
assert m.fs.unit.config.gas_property_package is m.fs.gas_props
assert m.fs.unit.config.gas_property_package_args is None
assert m.fs.unit.config.solid_property_package is m.fs.solid_props
assert m.fs.unit.config.solid_property_package_args is None
assert m.fs.unit.config.reaction_package is m.fs.solid_rxns
def iron_oc(self):
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.gas_properties = GasPhaseThermoParameterBlock()
m.fs.solid_properties = SolidPhaseThermoParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.unit = MBR(
default={
"energy_balance_type": EnergyBalanceType.none,
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
return m
def test_config():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.gas_properties = GasPhaseThermoParameterBlock()
m.fs.solid_properties = SolidPhaseThermoParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.unit = BubblingFluidizedBed(
default={
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
# Check unit config arguments
assert len(m.fs.unit.config) == 14
assert isinstance(m.fs.unit.config.gas_phase_config, ConfigBlock)
assert isinstance(m.fs.unit.config.solid_phase_config, ConfigBlock)
assert m.fs.unit.config.finite_elements == 10
assert m.fs.unit.config.length_domain_set == [0.0, 1.0]
assert m.fs.unit.config.transformation_method == "dae.finite_difference"
assert m.fs.unit.config.transformation_scheme == 'BACKWARD'
assert m.fs.unit.config.collocation_points == 3
assert m.fs.unit.config.flow_type == "co_current"
assert m.fs.unit.config.material_balance_type == \
MaterialBalanceType.componentTotal
assert m.fs.unit.config.energy_balance_type == \
EnergyBalanceType.enthalpyTotal
assert m.fs.unit.config.momentum_balance_type == \
MomentumBalanceType.pressureTotal
assert m.fs.unit.config.has_pressure_change is True
# Check gas phase config arguments
assert len(m.fs.unit.config.gas_phase_config) == 7
assert m.fs.unit.config.gas_phase_config.has_equilibrium_reactions is False
assert m.fs.unit.config.gas_phase_config.property_package is \
m.fs.gas_properties
assert m.fs.unit.config.gas_phase_config.reaction_package is None
# Check solid phase config arguments
assert len(m.fs.unit.config.solid_phase_config) == 7
assert m.fs.unit.config.solid_phase_config.has_equilibrium_reactions is \
False
assert m.fs.unit.config.solid_phase_config.property_package is \
m.fs.solid_properties
assert m.fs.unit.config.solid_phase_config.reaction_package is \
m.fs.hetero_reactions
def iron_oc(self):
m = ConcreteModel()
m.fs = FlowsheetBlock(default={
"dynamic": True,
"time_set": [0, 3600],
"time_units": pyunits.s
})
m.fs.gas_props = GasPhaseParameterBlock()
m.fs.solid_props = SolidPhaseParameterBlock()
m.fs.solid_rxns = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_props,
"gas_property_package": m.fs.gas_props
})
m.fs.unit = FixedBed0D(
default={
"energy_balance_type": EnergyBalanceType.none,
"gas_property_package": m.fs.gas_props,
"solid_property_package": m.fs.solid_props,
"reaction_package": m.fs.solid_rxns
})
# Discretize time domain
m.discretizer = TransformationFactory('dae.finite_difference')
m.discretizer.apply_to(m, nfe=100, wrt=m.fs.time, scheme="BACKWARD")
# Set reactor design conditions
m.fs.unit.bed_diameter.fix(1) # diameter of the TGA reactor [m]
m.fs.unit.bed_height.fix(1) # height of solids in the TGA reactor [m]
# Set initial conditions of the solid phase
m.fs.unit.solids[0].temperature.fix(1273.15)
m.fs.unit.solids[0].particle_porosity.fix(0.20)
m.fs.unit.solids[0].mass_frac_comp['Fe2O3'].fix(0.45)
m.fs.unit.solids[0].mass_frac_comp['Fe3O4'].fix(0)
m.fs.unit.solids[0].mass_frac_comp['Al2O3'].fix(0.55)
# Set conditions of the gas phase (this is all fixed as gas side
# assumption is excess gas flowrate which means all state variables
# remain unchanged)
for t in m.fs.time:
m.fs.unit.gas[t].temperature.fix(1273.15)
m.fs.unit.gas[t].pressure.fix(1.01325E5) # 1atm
m.fs.unit.gas[t].mole_frac_comp['CO2'].fix(0.4)
m.fs.unit.gas[t].mole_frac_comp['H2O'].fix(0.5)
m.fs.unit.gas[t].mole_frac_comp['CH4'].fix(0.1)
return m
def iron_oc(self):
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.gas_properties = GasPhaseThermoParameterBlock()
m.fs.solid_properties = SolidPhaseThermoParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.unit = BubblingFluidizedBed(
default={
"energy_balance_type": EnergyBalanceType.none,
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
# # Fix geometry variables
m.fs.unit.number_orifice.fix(2500) # [-]
m.fs.unit.bed_diameter.fix(6.5) # m
m.fs.unit.bed_height.fix(5) # m
# # Fix inlet port variables for gas and solid
m.fs.unit.gas_inlet.flow_mol[0].fix(272.81) # mol/s
m.fs.unit.gas_inlet.temperature[0].fix(1186) # K
m.fs.unit.gas_inlet.pressure[0].fix(1.86) # bar
m.fs.unit.gas_inlet.mole_frac_comp[0, "CO2"].fix(0.4772)
m.fs.unit.gas_inlet.mole_frac_comp[0, "H2O"].fix(0.0646)
m.fs.unit.gas_inlet.mole_frac_comp[0, "CH4"].fix(0.4582)
m.fs.unit.solid_inlet.flow_mass[0].fix(1422) # kg/
m.fs.unit.solid_inlet.particle_porosity.fix(0.27) # (-)
m.fs.unit.solid_inlet.temperature[0].fix(1186) # K
m.fs.unit.solid_inlet.mass_frac_comp[0, "Fe2O3"].fix(0.45)
m.fs.unit.solid_inlet.mass_frac_comp[0, "Fe3O4"].fix(1e-9)
m.fs.unit.solid_inlet.mass_frac_comp[0, "Al2O3"].fix(0.55)
return m
def iron_oc(self):
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.gas_properties = GasPhaseParameterBlock()
m.fs.solid_properties = SolidPhaseParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.unit = MBR(
default={
"energy_balance_type": EnergyBalanceType.none,
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
# Fix geometry variables
m.fs.unit.bed_diameter.fix(6.5) # m
m.fs.unit.bed_height.fix(5) # m
# Fix inlet port variables for gas and solid
m.fs.unit.gas_inlet.flow_mol[0].fix(128.20513) # mol/s
m.fs.unit.gas_inlet.temperature[0].fix(1183.15) # K
m.fs.unit.gas_inlet.pressure[0].fix(2.00) # bar
m.fs.unit.gas_inlet.mole_frac_comp[0, "CO2"].fix(0.02499)
m.fs.unit.gas_inlet.mole_frac_comp[0, "H2O"].fix(0.00001)
m.fs.unit.gas_inlet.mole_frac_comp[0, "CH4"].fix(0.975)
m.fs.unit.solid_inlet.flow_mass[0].fix(591.4) # kg/s
m.fs.unit.solid_inlet.temperature[0].fix(1183.15) # K
m.fs.unit.solid_inlet.particle_porosity[0].fix(0.27) # (-)
m.fs.unit.solid_inlet.mass_frac_comp[0, "Fe2O3"].fix(0.45)
m.fs.unit.solid_inlet.mass_frac_comp[0, "Fe3O4"].fix(1e-9)
m.fs.unit.solid_inlet.mass_frac_comp[0, "Al2O3"].fix(0.55)
return m
def rxn_prop():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.solid_properties = SolidPhaseParameterBlock()
m.fs.solid_state_block = m.fs.solid_properties.build_state_block(
default={
"parameters": m.fs.solid_properties,
"defined_state": True
})
m.fs.gas_properties = GasPhaseParameterBlock()
m.fs.gas_state_block = m.fs.gas_properties.build_state_block(
default={
"parameters": m.fs.gas_properties,
"defined_state": True
})
m.fs.reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.unit = m.fs.reactions.reaction_block_class(
default={
"parameters": m.fs.reactions,
"solid_state_block": m.fs.solid_state_block,
"gas_state_block": m.fs.gas_state_block,
"has_equilibrium": False
})
# Fix required variables to make reaction model square
# (gas mixture and component densities,
# solid particle porosity, density and component fractions)
m.fs.gas_state_block.dens_mol.fix(10)
m.fs.gas_state_block.dens_mol_comp.fix(10)
m.fs.solid_state_block.particle_porosity.fix(0.27)
m.fs.solid_state_block.mass_frac_comp["Fe2O3"].fix(0.45)
m.fs.solid_state_block.mass_frac_comp["Fe3O4"].fix(1e-9)
m.fs.solid_state_block.mass_frac_comp["Al2O3"].fix(0.55)
m.fs.solid_state_block.dens_mass_skeletal.fix(1)
m.fs.solid_state_block.temperature.fix(1183.15) # K
return m
def main():
# ---------------------------------------------------------------------
# Build model
# Create a concrete model
m = ConcreteModel()
# Create a steady-state flowsheet
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo-physical and reaction properties
m.fs.gas_properties = GasPhaseThermoParameterBlock()
m.fs.solid_properties = SolidPhaseThermoParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
# Build the BFB in the flowsheet
m.fs.BFB = BubblingFluidizedBed(
default={
"flow_type": "co_current",
"finite_elements": 5,
"transformation_method": "dae.collocation",
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
# ---------------------------------------------------------------------
# Set design and operating variables of the BFB model
# Fix design variables
m.fs.BFB.number_orifice.fix(2500) # [-]
m.fs.BFB.bed_diameter.fix(6.5) # m
m.fs.BFB.bed_height.fix(5) # m
# Fix inlet port variables for gas and solid
m.fs.BFB.gas_inlet.flow_mol[0].fix(272.81) # mol/s
m.fs.BFB.gas_inlet.temperature[0].fix(373) # K
m.fs.BFB.gas_inlet.pressure[0].fix(1.86) # bar
m.fs.BFB.gas_inlet.mole_frac_comp[0, "CO2"].fix(0.4772)
m.fs.BFB.gas_inlet.mole_frac_comp[0, "H2O"].fix(0.0646)
m.fs.BFB.gas_inlet.mole_frac_comp[0, "CH4"].fix(0.4582)
m.fs.BFB.solid_inlet.flow_mass[0].fix(1230) # kg/s
# Particle porosity:
# The porosity of the OC particle at the inlet is calculated from the
# known bulk density of the fresh OC particle (3251.75 kg/m3), and the
# skeletal density of the fresh OC particle (calculated from the known
# composition of the fresh particle, and the skeletal density of its
# components [see the solids property package])
m.fs.BFB.solid_inlet.particle_porosity[0].fix(0.27)
m.fs.BFB.solid_inlet.temperature[0].fix(1186) # K
m.fs.BFB.solid_inlet.mass_frac_comp[0, "Fe2O3"].fix(0.45)
m.fs.BFB.solid_inlet.mass_frac_comp[0, "Fe3O4"].fix(1e-9)
m.fs.BFB.solid_inlet.mass_frac_comp[0, "Al2O3"].fix(0.55)
# ---------------------------------------------------------------------
# Initialize reactor
t_start = time.time() # Run start time
# State arguments for initializing property state blocks
# Bubble and gas_emulsion temperatures are initialized at solid
# temperature because thermal mass of solid >> thermal mass of gas
blk = m.fs.BFB
gas_phase_state_args = {
'flow_mol': blk.gas_inlet.flow_mol[0].value,
'temperature': blk.solid_inlet.temperature[0].value,
'pressure': blk.gas_inlet.pressure[0].value,
'mole_frac': {
'CH4': blk.gas_inlet.mole_frac_comp[0, 'CH4'].value,
'CO2': blk.gas_inlet.mole_frac_comp[0, 'CO2'].value,
'H2O': blk.gas_inlet.mole_frac_comp[0, 'H2O'].value
}
}
solid_phase_state_args = {
'flow_mass': blk.solid_inlet.flow_mass[0].value,
'particle_porosity': blk.solid_inlet.particle_porosity[0].value,
'temperature': blk.solid_inlet.temperature[0].value,
'mass_frac': {
'Fe2O3': blk.solid_inlet.mass_frac_comp[0, 'Fe2O3'].value,
'Fe3O4': blk.solid_inlet.mass_frac_comp[0, 'Fe3O4'].value,
'Al2O3': blk.solid_inlet.mass_frac_comp[0, 'Al2O3'].value
}
}
m.fs.BFB.initialize(outlvl=idaeslog.INFO,
gas_phase_state_args=gas_phase_state_args,
solid_phase_state_args=solid_phase_state_args)
t_initialize = time.time() # Initialization time
# ---------------------------------------------------------------------
# Final solve
# Create a solver
solver = SolverFactory('ipopt')
solver.solve(m.fs.BFB, tee=True)
t_simulation = time.time() # Simulation time
print("\n")
print("----------------------------------------------------------")
print('Total initialization time: ', value(t_initialize - t_start), " s")
print("----------------------------------------------------------")
print("\n")
print("----------------------------------------------------------")
print('Total simulation time: ', value(t_simulation - t_start), " s")
print("----------------------------------------------------------")
return m
def main(m):
m.fs = FlowsheetBlock(default={"dynamic": True,
"time_set": [0, 3600],
"time_units": pyunits.s})
m.fs.gas_props = GasPhaseParameterBlock()
m.fs.solid_props = SolidPhaseParameterBlock()
m.fs.solid_rxns = HeteroReactionParameterBlock(
default={"solid_property_package": m.fs.solid_props,
"gas_property_package": m.fs.gas_props})
m.fs.TGA = FixedBed0D(default={
"energy_balance_type": EnergyBalanceType.none,
"gas_property_package": m.fs.gas_props,
"solid_property_package": m.fs.solid_props,
"reaction_package": m.fs.solid_rxns})
# Discretize time domain
m.discretizer = TransformationFactory('dae.finite_difference')
m.discretizer.apply_to(m,
nfe=100,
wrt=m.fs.time,
scheme="BACKWARD")
# Set reactor design conditions
m.fs.TGA.bed_diameter.fix(1) # diameter of the TGA reactor [m]
m.fs.TGA.bed_height.fix(1) # height of solids in the TGA reactor [m]
# Set initial conditions of the solid phase
m.fs.TGA.solids[0].particle_porosity.fix(0.20)
m.fs.TGA.solids[0].mass_frac_comp['Fe2O3'].fix(0.45)
m.fs.TGA.solids[0].mass_frac_comp['Fe3O4'].fix(0)
m.fs.TGA.solids[0].mass_frac_comp['Al2O3'].fix(0.55)
m.fs.TGA.solids[0].temperature.fix(1273.15)
# Set conditions of the gas phase (this is all fixed as gas side assumption
# is excess gas flowrate which means all state variables remain unchanged)
for t in m.fs.time:
m.fs.TGA.gas[t].temperature.fix(1273.15)
m.fs.TGA.gas[t].pressure.fix(1.01325E5) # 1atm
m.fs.TGA.gas[t].mole_frac_comp['CO2'].fix(0.4)
m.fs.TGA.gas[t].mole_frac_comp['H2O'].fix(0.5)
m.fs.TGA.gas[t].mole_frac_comp['CH4'].fix(0.1)
# Solver options
optarg = {
"bound_push": 1e-8,
'halt_on_ampl_error': 'yes',
'linear_solver': 'ma27'
}
t_start = time.time() # Run start time
m.fs.TGA.initialize()
t_initialize = time.time() # Initialization time
solver = get_solver('ipopt', optarg) # create solver
initialize_by_time_element(m.fs, m.fs.time, solver=solver)
solver.solve(m, tee=True)
t_simulation = time.time() # Simulation time
print("\n")
print("----------------------------------------------------------")
print('Total initialization time: ', value(t_initialize - t_start), " s")
print("----------------------------------------------------------")
print("\n")
print("----------------------------------------------------------")
print('Total simulation time: ', value(t_simulation - t_start), " s")
print("----------------------------------------------------------")
return m
def main():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Set up thermo props and reaction props
m.fs.gas_properties = GasPhaseThermoParameterBlock()
m.fs.solid_properties = SolidPhaseThermoParameterBlock()
m.fs.hetero_reactions = HeteroReactionParameterBlock(
default={
"solid_property_package": m.fs.solid_properties,
"gas_property_package": m.fs.gas_properties
})
m.fs.MB = MBR(
default={
"transformation_method": "dae.collocation",
"gas_phase_config": {
"property_package": m.fs.gas_properties
},
"solid_phase_config": {
"property_package": m.fs.solid_properties,
"reaction_package": m.fs.hetero_reactions
}
})
# Fix bed geometry variables
m.fs.MB.bed_diameter.fix(6.5) # m
m.fs.MB.bed_height.fix(5) # m
# Fix inlet port variables for gas and solid
m.fs.MB.gas_inlet.flow_mol[0].fix(128.20513) # mol/s
m.fs.MB.gas_inlet.temperature[0].fix(298.15) # K
m.fs.MB.gas_inlet.pressure[0].fix(2.00) # bar
m.fs.MB.gas_inlet.mole_frac_comp[0, "CO2"].fix(0.02499)
m.fs.MB.gas_inlet.mole_frac_comp[0, "H2O"].fix(0.00001)
m.fs.MB.gas_inlet.mole_frac_comp[0, "CH4"].fix(0.975)
m.fs.MB.solid_inlet.flow_mass[0].fix(591.4) # kg/s
# Particle porosity:
# The porosity of the OC particle at the inlet is calculated from the
# known bulk density of the fresh OC particle (3251.75 kg/m3), and the
# skeletal density of the fresh OC particle (calculated from the known
# composition of the fresh particle, and the skeletal density of its
# components [see the solids property package])
m.fs.MB.solid_inlet.particle_porosity[0].fix(0.27)
m.fs.MB.solid_inlet.temperature[0].fix(1183.15) # K
m.fs.MB.solid_inlet.mass_frac_comp[0, "Fe2O3"].fix(0.45)
m.fs.MB.solid_inlet.mass_frac_comp[0, "Fe3O4"].fix(1e-9)
m.fs.MB.solid_inlet.mass_frac_comp[0, "Al2O3"].fix(0.55)
# Initialize fuel reactor
t_start = time.time() # Run start time
# State arguments for initializing property state blocks
# Gas phase temperature is initialized at solid
# temperature because thermal mass of solid >> thermal mass of gas
# Particularly useful for initialization if reaction takes place
blk = m.fs.MB
gas_phase_state_args = {
'flow_mol': blk.gas_inlet.flow_mol[0].value,
'temperature': blk.solid_inlet.temperature[0].value,
'pressure': blk.gas_inlet.pressure[0].value,
'mole_frac': {
'CH4': blk.gas_inlet.mole_frac_comp[0, 'CH4'].value,
'CO2': blk.gas_inlet.mole_frac_comp[0, 'CO2'].value,
'H2O': blk.gas_inlet.mole_frac_comp[0, 'H2O'].value
}
}
solid_phase_state_args = {
'flow_mass': blk.solid_inlet.flow_mass[0].value,
'particle_porosity': blk.solid_inlet.particle_porosity[0].value,
'temperature': blk.solid_inlet.temperature[0].value,
'mass_frac': {
'Fe2O3': blk.solid_inlet.mass_frac_comp[0, 'Fe2O3'].value,
'Fe3O4': blk.solid_inlet.mass_frac_comp[0, 'Fe3O4'].value,
'Al2O3': blk.solid_inlet.mass_frac_comp[0, 'Al2O3'].value
}
}
m.fs.MB.initialize(outlvl=idaeslog.INFO,
gas_phase_state_args=gas_phase_state_args,
solid_phase_state_args=solid_phase_state_args)
t_initialize = time.time() # Initialization time
# Create a solver
solver = get_solver()
solver.solve(m.fs.MB, tee=True)
t_simulation = time.time() # Simulation time
print("\n")
print("----------------------------------------------------------")
print('Total initialization time: ', value(t_initialize - t_start), " s")
print("----------------------------------------------------------")
print("\n")
print("----------------------------------------------------------")
print('Total simulation time: ', value(t_simulation - t_start), " s")
print("----------------------------------------------------------")
return m