##############################################################################
# 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 PFR model.
"""
from __future__ import division
# Import Pyomo libraries
from pyomo.environ import Constraint, Var
from pyomo.common.config import ConfigBlock, ConfigValue, In
# 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,
list_of_floats)
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.componentPhase,
domain=In(MaterialBalanceType),
description="Material balance construction flag",
doc="""Indicates what type of mass balance should be constructed,
**default** - MaterialBalanceType.componentPhase.
**Valid values:** {
**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.enthalpyTotal,
domain=In(EnergyBalanceType),
description="Energy balance construction flag",
doc="""Indicates what type of energy balance should be constructed,
**default** - EnergyBalanceType.enthalpyTotal.
**Valid values:** {
**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=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 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=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.}"""))
CONFIG.declare("length_domain_set", ConfigValue(
default=[0.0, 1.0],
domain=list_of_floats,
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(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,
"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 performance equations
add_object_reference(self,
"rate_reaction_idx_ref",
self.config.reaction_package.rate_reaction_idx)
# Add PFR performance equation
@self.Constraint(self.flowsheet().config.time,
self.control_volume.length_domain,
self.rate_reaction_idx_ref,
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
# TODO : Need to add units
self.volume = Var(initialize=1,
doc="Reactor 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 != '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 = {"Volume": self.volume}
var_dict = {"Length": self.length}
var_dict = {"Area": self.area}
return {"vars": var_dict}