#################################################################################
# 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) 2018-2024 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 STOICHIOMETRIC reactor model
"""
# Import Pyomo libraries
from pyomo.environ import Reference
from pyomo.common.config import ConfigBlock, ConfigValue, In, Bool
# 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__ = "Chinedu Okoli, Andrew Lee"
[docs]
@declare_process_block_class("StoichiometricReactor")
class StoichiometricReactorData(UnitModelBlockData):
"""
Standard Stoichiometric Reactor Unit Model Class
This model assumes that all given reactions are irreversible, and that each
reaction has a fixed rate_reaction extent which has to be specified by the
user.
"""
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_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.}""",
),
)
[docs]
def build(self):
"""
Begin building model (pre-DAE transformation).
Args:
None
Returns:
None
"""
# Call UnitModel.build to setup dynamics
super(StoichiometricReactorData, self).build()
# Build Control Volume
self.control_volume = ControlVolume0DBlock(
dynamic=self.config.dynamic,
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,
)
self.control_volume.add_state_blocks(has_phase_equilibrium=False)
self.control_volume.add_reaction_blocks(has_equilibrium=False)
self.control_volume.add_material_balances(
balance_type=self.config.material_balance_type, has_rate_reactions=True
)
self.control_volume.add_energy_balances(
balance_type=self.config.energy_balance_type,
has_heat_transfer=self.config.has_heat_transfer,
has_heat_of_reaction=self.config.has_heat_of_reaction,
)
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()
# Add performance equations
self.rate_reaction_extent = Reference(
self.control_volume.rate_reaction_extent[...]
)
# 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 = {}
for r in self.config.reaction_package.rate_reaction_idx:
var_dict[f"Reaction Extent [{r}]"] = self.rate_reaction_extent[
time_point, r
]
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}
