Source code for idaes.generic_models.unit_models.equilibrium_reactor

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# Institute for the Design of Advanced Energy Systems Process Systems
# Engineering Framework (IDAES PSE Framework) Copyright (c) 2018-2020, 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.txt and LICENSE.txt for full copyright and
# license information, respectively. Both files are also available online
# at the URL "https://github.com/IDAES/idaes-pse".
##############################################################################
"""
Standard IDAES Equilibrium Reactor model.
"""

# Import Pyomo libraries
from pyomo.common.config import ConfigBlock, ConfigValue, In
from pyomo.environ import Reference

# Import IDAES cores
from idaes.core import (ControlVolume0DBlock,
                        declare_process_block_class,
                        MaterialBalanceType,
                        EnergyBalanceType,
                        MomentumBalanceType,
                        UnitModelBlockData,
                        useDefault)
from idaes.core.util.config import (is_physical_parameter_block,
                                    is_reaction_parameter_block)

__author__ = "Andrew Lee"


[docs]@declare_process_block_class("EquilibriumReactor") class EquilibriumReactorData(UnitModelBlockData): """ Standard Equilibrium Reactor Unit Model Class """ CONFIG = ConfigBlock() CONFIG.declare("dynamic", ConfigValue( domain=In([False]), default=False, description="Dynamic model flag - must be False", doc="""Indicates whether this model will be dynamic or not, **default** = False. Equilibrium Reactors do not support dynamic behavior.""")) CONFIG.declare("has_holdup", ConfigValue( default=False, domain=In([False]), description="Holdup construction flag - must be False", doc="""Indicates whether holdup terms should be constructed or not. **default** - False. Equilibrium reactors do not have defined volume, thus this must be False.""")) 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_rate_reactions", ConfigValue( default=True, domain=In([True, False]), description="Rate reaction construction flag", doc="""Indicates whether terms for rate controlled reactions should be constructed, along with constraints equating these to zero, **default** - True. **Valid values:** { **True** - include rate reaction terms, **False** - exclude rate reaction terms.}""")) CONFIG.declare("has_equilibrium_reactions", ConfigValue( default=True, domain=In([True, False]), 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=In([True, False]), description="Phase equilibrium term construction flag", doc="""Indicates whether terms for phase equilibrium should be constructed, **default** - True. **Valid values:** { **True** - include phase equilibrium term, **False** - exclude phase equlibirum terms.}""")) CONFIG.declare("has_heat_transfer", ConfigValue( default=False, domain=In([True, False]), 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_heat_of_reaction", ConfigValue( default=False, domain=In([True, False]), 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_pressure_change", ConfigValue( default=False, domain=In([True, False]), 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, **PhysicalParameterObject** - a PhysicalParameterBlock 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.}"""))
[docs] def build(self): """ Begin building model. Args: None Returns: None """ # Call UnitModel.build to setup dynamics super(EquilibriumReactorData, self).build() # Build Control Volume self.control_volume = ControlVolume0DBlock(default={ "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}) # No need for control volume geometry 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=self.config.has_rate_reactions, 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) # Add Ports self.add_inlet_port() self.add_outlet_port() if self.config.has_rate_reactions: # Add equilibrium reactor performance equation @self.Constraint(self.flowsheet().config.time, self.config.reaction_package.rate_reaction_idx, doc="Rate reaction equilibrium constraint") def rate_reaction_constraint(b, t, r): # Set kinetic reaction rates to zero return b.control_volume.reactions[t].reaction_rate[r] == 0 # Set references to balance terms at unit level 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 = {} if hasattr(self, "heat_duty"): var_dict["Heat Duty"] = self.heat_duty[time_point] if hasattr(self, "deltaP"): var_dict["Pressure Change"] = self.deltaP[time_point] return {"vars": var_dict}