##############################################################################
# Institute for the Design of Advanced Energy Systems Process Systems
# Engineering Framework (IDAES PSE Framework) Copyright (c) 2018-2019, 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 STOICHIOMETRIC reactor model
"""
# Import Pyomo libraries
from pyomo.common.config import ConfigBlock, ConfigValue, In
# 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)
from idaes.core.util.misc import add_object_reference
__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=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_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_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,
**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(default={
"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
add_object_reference(self,
"rate_reaction_extent",
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 != 'none'):
add_object_reference(self, "heat_duty", self.control_volume.heat)
if (self.config.has_pressure_change is True and
self.config.momentum_balance_type != 'none'):
add_object_reference(self, "deltaP", 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}