Source code for idaes.models.unit_models.plug_flow_reactor

#################################################################################
# The Institute for the Design of Advanced Energy Systems Integrated Platform
# Framework (IDAES IP) was produced under the DOE Institute for the
# Design of Advanced Energy Systems (IDAES).
#
# Copyright (c) 2018-2023 by the software owners: The Regents of the
# University of California, through Lawrence Berkeley National Laboratory,
# National Technology & Engineering Solutions of Sandia, LLC, Carnegie Mellon
# University, West Virginia University Research Corporation, et al.
# All rights reserved.  Please see the files COPYRIGHT.md and LICENSE.md
# for full copyright and license information.
#################################################################################
"""
Standard IDAES PFR model.
"""
# Import Pyomo libraries
from pyomo.environ import Constraint, Var, Reference
from pyomo.common.config import ConfigBlock, ConfigValue, In, ListOf, Bool

# Import IDAES cores
from idaes.core import (
    ControlVolume1DBlock,
    declare_process_block_class,
    MaterialBalanceType,
    EnergyBalanceType,
    MomentumBalanceType,
    UnitModelBlockData,
    useDefault,
)
from idaes.core.util.config import (
    is_physical_parameter_block,
    is_reaction_parameter_block,
)
from idaes.core.util.misc import add_object_reference

__author__ = "Andrew Lee, John Eslick"


[docs]@declare_process_block_class("PFR") class PFRData(UnitModelBlockData): """ Standard Plug Flow Reactor Unit Model Class """ CONFIG = UnitModelBlockData.CONFIG() CONFIG.declare( "material_balance_type", ConfigValue( default=MaterialBalanceType.useDefault, domain=In(MaterialBalanceType), description="Material balance construction flag", doc="""Indicates what type of mass balance should be constructed, **default** - MaterialBalanceType.useDefault. **Valid values:** { **MaterialBalanceType.useDefault - refer to property package for default balance type **MaterialBalanceType.none** - exclude material balances, **MaterialBalanceType.componentPhase** - use phase component balances, **MaterialBalanceType.componentTotal** - use total component balances, **MaterialBalanceType.elementTotal** - use total element balances, **MaterialBalanceType.total** - use total material balance.}""", ), ) CONFIG.declare( "energy_balance_type", ConfigValue( default=EnergyBalanceType.useDefault, domain=In(EnergyBalanceType), description="Energy balance construction flag", doc="""Indicates what type of energy balance should be constructed, **default** - EnergyBalanceType.useDefault. **Valid values:** { **EnergyBalanceType.useDefault - refer to property package for default balance type **EnergyBalanceType.none** - exclude energy balances, **EnergyBalanceType.enthalpyTotal** - single enthalpy balance for material, **EnergyBalanceType.enthalpyPhase** - enthalpy balances for each phase, **EnergyBalanceType.energyTotal** - single energy balance for material, **EnergyBalanceType.energyPhase** - energy balances for each phase.}""", ), ) CONFIG.declare( "momentum_balance_type", ConfigValue( default=MomentumBalanceType.pressureTotal, domain=In(MomentumBalanceType), description="Momentum balance construction flag", doc="""Indicates what type of momentum balance should be constructed, **default** - MomentumBalanceType.pressureTotal. **Valid values:** { **MomentumBalanceType.none** - exclude momentum balances, **MomentumBalanceType.pressureTotal** - single pressure balance for material, **MomentumBalanceType.pressurePhase** - pressure balances for each phase, **MomentumBalanceType.momentumTotal** - single momentum balance for material, **MomentumBalanceType.momentumPhase** - momentum balances for each phase.}""", ), ) CONFIG.declare( "has_equilibrium_reactions", ConfigValue( default=False, domain=Bool, description="Equilibrium reaction construction flag", doc="""Indicates whether terms for equilibrium controlled reactions should be constructed, **default** - True. **Valid values:** { **True** - include equilibrium reaction terms, **False** - exclude equilibrium reaction terms.}""", ), ) CONFIG.declare( "has_phase_equilibrium", ConfigValue( default=False, domain=Bool, description="Phase equilibrium construction flag", doc="""Indicates whether terms for phase equilibrium should be constructed, **default** = False. **Valid values:** { **True** - include phase equilibrium terms **False** - exclude phase equilibrium terms.}""", ), ) CONFIG.declare( "has_heat_of_reaction", ConfigValue( default=False, domain=Bool, description="Heat of reaction term construction flag", doc="""Indicates whether terms for heat of reaction terms should be constructed, **default** - False. **Valid values:** { **True** - include heat of reaction terms, **False** - exclude heat of reaction terms.}""", ), ) CONFIG.declare( "has_heat_transfer", ConfigValue( default=False, domain=Bool, description="Heat transfer term construction flag", doc="""Indicates whether terms for heat transfer should be constructed, **default** - False. **Valid values:** { **True** - include heat transfer terms, **False** - exclude heat transfer terms.}""", ), ) CONFIG.declare( "has_pressure_change", ConfigValue( default=False, domain=Bool, description="Pressure change term construction flag", doc="""Indicates whether terms for pressure change should be constructed, **default** - False. **Valid values:** { **True** - include pressure change terms, **False** - exclude pressure change terms.}""", ), ) CONFIG.declare( "property_package", ConfigValue( default=useDefault, domain=is_physical_parameter_block, description="Property package to use for control volume", doc="""Property parameter object used to define property calculations, **default** - useDefault. **Valid values:** { **useDefault** - use default package from parent model or flowsheet, **PropertyParameterObject** - a PropertyParameterBlock object.}""", ), ) CONFIG.declare( "property_package_args", ConfigBlock( implicit=True, description="Arguments to use for constructing property packages", doc="""A ConfigBlock with arguments to be passed to a property block(s) and used when constructing these, **default** - None. **Valid values:** { see property package for documentation.}""", ), ) CONFIG.declare( "reaction_package", ConfigValue( default=None, domain=is_reaction_parameter_block, description="Reaction package to use for control volume", doc="""Reaction parameter object used to define reaction calculations, **default** - None. **Valid values:** { **None** - no reaction package, **ReactionParameterBlock** - a ReactionParameterBlock object.}""", ), ) CONFIG.declare( "reaction_package_args", ConfigBlock( implicit=True, description="Arguments to use for constructing reaction packages", doc="""A ConfigBlock with arguments to be passed to a reaction block(s) and used when constructing these, **default** - None. **Valid values:** { see reaction package for documentation.}""", ), ) CONFIG.declare( "length_domain_set", ConfigValue( default=[0.0, 1.0], domain=ListOf(float), description="List of points to use to initialize length domain", doc="""A list of values to be used when constructing the length domain of the reactor. Point must lie between 0.0 and 1.0, **default** - [0.0, 1.0]. **Valid values:** { a list of floats}""", ), ) CONFIG.declare( "transformation_method", ConfigValue( default="dae.finite_difference", description="Method to use for DAE transformation", doc="""Method to use to transform domain. Must be a method recognised by the Pyomo TransformationFactory, **default** - "dae.finite_difference".""", ), ) CONFIG.declare( "transformation_scheme", ConfigValue( default="BACKWARD", description="Scheme to use for DAE transformation", doc="""Scheme to use when transformating domain. See Pyomo documentation for supported schemes, **default** - "BACKWARD".""", ), ) CONFIG.declare( "finite_elements", ConfigValue( default=20, description="Number of finite elements to use for DAE transformation", doc="""Number of finite elements to use when transforming length domain, **default** - 20.""", ), ) CONFIG.declare( "collocation_points", ConfigValue( default=3, description="No. collocation points to use for DAE transformation", doc="""Number of collocation points to use when transforming length domain, **default** - 3.""", ), )
[docs] def build(self): """ Begin building model (pre-DAE transformation). Args: None Returns: None """ # Call UnitModel.build to setup dynamics super(PFRData, self).build() # Build Control Volume self.control_volume = ControlVolume1DBlock( dynamic=self.config.dynamic, has_holdup=self.config.has_holdup, property_package=self.config.property_package, property_package_args=self.config.property_package_args, reaction_package=self.config.reaction_package, reaction_package_args=self.config.reaction_package_args, transformation_method=self.config.transformation_method, transformation_scheme=self.config.transformation_scheme, finite_elements=self.config.finite_elements, collocation_points=self.config.collocation_points, ) self.control_volume.add_geometry( length_domain_set=self.config.length_domain_set ) self.control_volume.add_state_blocks( has_phase_equilibrium=self.config.has_phase_equilibrium ) self.control_volume.add_reaction_blocks( has_equilibrium=self.config.has_equilibrium_reactions ) self.control_volume.add_material_balances( balance_type=self.config.material_balance_type, has_rate_reactions=True, has_equilibrium_reactions=self.config.has_equilibrium_reactions, has_phase_equilibrium=self.config.has_phase_equilibrium, ) self.control_volume.add_energy_balances( balance_type=self.config.energy_balance_type, has_heat_of_reaction=self.config.has_heat_of_reaction, has_heat_transfer=self.config.has_heat_transfer, ) self.control_volume.add_momentum_balances( balance_type=self.config.momentum_balance_type, has_pressure_change=self.config.has_pressure_change, ) self.control_volume.apply_transformation() # Add Ports self.add_inlet_port() self.add_outlet_port() # Add PFR performance equation @self.Constraint( self.flowsheet().time, self.control_volume.length_domain, self.config.reaction_package.rate_reaction_idx, doc="PFR performance equation", ) def performance_eqn(b, t, x, r): return b.control_volume.rate_reaction_extent[t, x, r] == ( b.control_volume.reactions[t, x].reaction_rate[r] * b.control_volume.area ) # Set references to balance terms at unit level add_object_reference(self, "length", self.control_volume.length) add_object_reference(self, "area", self.control_volume.area) # Add volume variable for full reactor units = self.control_volume.config.property_package.get_metadata() self.volume = Var( initialize=1, doc="Reactor Volume", units=units.get_derived_units("volume") ) self.geometry = Constraint(expr=self.volume == self.area * self.length) if ( self.config.has_heat_transfer is True and self.config.energy_balance_type != EnergyBalanceType.none ): self.heat_duty = Reference(self.control_volume.heat[...]) if ( self.config.has_pressure_change is True and self.config.momentum_balance_type != MomentumBalanceType.none ): self.deltaP = Reference(self.control_volume.deltaP[...])
def _get_performance_contents(self, time_point=0): var_dict = {"Volume": self.volume} var_dict = {"Length": self.length} var_dict = {"Area": self.area} return {"vars": var_dict}