#####################################################################################################
# “PrOMMiS” was produced under the DOE Process Optimization and Modeling for Minerals Sustainability
# (“PrOMMiS”) initiative, and is copyright (c) 2023-2026 by the software owners: The Regents of the
# University of California, through Lawrence Berkeley National Laboratory, et al. All rights reserved.
# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license information.
#####################################################################################################
r"""
Preliminary Precipitator Unit Model
===================================
Authors: Alejandro Garciadiego, Douglas Allan
The Precipitator Unit Model represents an Equilibrium reactor unit model with fixed partition coefficients.
Configuration Arguments
-----------------------
The precipitator unit model needs an aqueous property package which includes stoichiometric values for solids being
created in the precipitator and fixed separation coefficients of the solids.
Model Structure
---------------
The Precitator unit model has hard coded stream names (``aqueous`` and ``precipitate`` respectively). The Precipitator
model also has one inlet and two outlets named ``aqueous_inlet``, ``aqueous_outlet`` and ``precipitate_outlet`` respectively.
Additional Constraints
----------------------
The Precipitator unit adds two additional constraint to define the stochiometry and separation.
.. math:: n_{t,prec,c} = \frac{n_{t,aq_in,c} - n_{t,aq_out,c}}{S_{comp}}
where :math:`n_{t,prec,c}` is the outlet precipitation of component c, :math:`n_{t,aq_in,c}` is the inlet of component c in
the aqueous phase, :math:`n_{t,aq_in,c}` is the outlet of component c in the aqueous phase at time :math:`t`, divided by the
stoichiometric parameter of component c :math:`S_{comp}`
.. math:: n_{t,aq_out,c} = n_{t,aq_in,c} * (1 - split_{c})
where :math:`split_{c}` is the fixed recovery fraction of component c; this factor can be a parameter or ideally a variable
solved by a surrogate or a model equation.
"""
# Import Pyomo libraries
from pyomo.common.collections import ComponentMap
from pyomo.common.config import Bool, ConfigBlock, ConfigValue
import idaes.logger as idaeslog
# Import IDAES cores
from idaes.core import (
ControlVolume0DBlock,
UnitModelBlockData,
declare_process_block_class,
useDefault,
)
from idaes.core.scaling import CustomScalerBase
from idaes.core.util.config import (
is_physical_parameter_block,
is_reaction_parameter_block,
)
from idaes.core.util.exceptions import ConfigurationError
_log = idaeslog.getLogger(__name__)
[docs]
class PrecipitatorScaler(CustomScalerBase):
"""
Scaler for the Precipitator unit model.
"""
[docs]
def variable_scaling_routine(
self, model, overwrite: bool = False, submodel_scalers: ComponentMap = None
):
"""
Variable scaling routine for Precipitator.
Args:
model: instance of Precipitator to be scaled
overwrite: whether to overwrite existing scaling factors
submodel_scalers: ComponentMap of Scalers to use for sub-models, keyed by submodel local name
Returns:
None
"""
self.call_submodel_scaler_method(
submodel=model.cv_aqueous,
submodel_scalers=submodel_scalers,
method="variable_scaling_routine",
overwrite=overwrite,
)
self.call_submodel_scaler_method(
submodel=model.precipitate_state_block,
submodel_scalers=submodel_scalers,
method="variable_scaling_routine",
overwrite=overwrite,
)
# No unit model level variables
[docs]
def constraint_scaling_routine(
self, model, overwrite: bool = False, submodel_scalers: ComponentMap = None
):
"""
Constraint scaling routine for Precipitator.
Args:
model: instance of Precipitator to be scaled
overwrite: whether to overwrite existing scaling factors
submodel_scalers: ComponentMap of Scalers to use for sub-models, keyed by submodel local name
Returns:
None
"""
self.call_submodel_scaler_method(
submodel=model.cv_aqueous,
submodel_scalers=submodel_scalers,
method="constraint_scaling_routine",
overwrite=overwrite,
)
self.call_submodel_scaler_method(
submodel=model.precipitate_state_block,
submodel_scalers=submodel_scalers,
method="constraint_scaling_routine",
overwrite=overwrite,
)
# TODO remove when old precipitate liquid properties are removed
if hasattr(model, "vol_balance"):
for condata in model.vol_balance.values():
self.scale_constraint_by_nominal_value(condata, overwrite=overwrite)
for (t, j), condata in model.precipitate_generation.items():
self.scale_constraint_by_component(
condata,
model.precipitate_state_block[t].flow_mol_comp[j],
overwrite=overwrite,
)
for condata in model.aqueous_depletion.values():
self.scale_constraint_by_nominal_value(condata, overwrite=overwrite)
@declare_process_block_class("Precipitator")
class PrecipitatorData(UnitModelBlockData):
""" """
default_scaler = PrecipitatorScaler
CONFIG = UnitModelBlockData.CONFIG()
CONFIG.declare(
"property_package_aqueous",
ConfigValue(
default=useDefault,
domain=is_physical_parameter_block,
description="Property package to use for aqueous 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_aqueous",
ConfigBlock(
implicit=True,
description="Arguments to use for constructing aqueous 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(
"property_package_precipitate",
ConfigValue(
default=useDefault,
domain=is_physical_parameter_block,
description="Property package to use for precipitate 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_precipitate",
ConfigBlock(
implicit=True,
description="Arguments to use for constructing precipitate 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(
"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(
"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.}""",
),
)
# TODO remove when old precipitate liquid properties are removed
CONFIG.declare(
"make_volume_balance_constraint",
ConfigValue(
default=False,
domain=Bool,
description="Flag whether to create volume balance constraint",
doc="Flag whether to create legacy volume balance constraint",
),
)
def build(self):
"""
Build method for precipitator unit model.
"""
# Call UnitModel.build to setup dynamics
super(PrecipitatorData, self).build()
# Add Control Volume
self.cv_aqueous = ControlVolume0DBlock(
dynamic=False,
has_holdup=False,
property_package=self.config.property_package_aqueous,
property_package_args=self.config.property_package_args_aqueous,
)
# Add inlet and outlet state blocks to control volume
self.cv_aqueous.add_state_blocks(has_phase_equilibrium=False)
# ---------------------------------------------------------------------
# Add single state block for vapor phase
tmp_dict = dict(**self.config.property_package_args_precipitate)
tmp_dict["has_phase_equilibrium"] = False
tmp_dict["defined_state"] = False
self.precipitate_state_block = (
self.config.property_package_precipitate.build_state_block(
self.flowsheet().time, doc="Vapor phase properties", **tmp_dict
)
)
# ---------------------------------------------------------------------
# Check flow basis is compatible
# TODO : Could add code to convert flow bases, but not now
t_init = self.flowsheet().time.first()
if (
self.precipitate_state_block[t_init].get_material_flow_basis()
!= self.cv_aqueous.properties_out[t_init].get_material_flow_basis()
):
raise ConfigurationError(
f"{self.name} Solid and aqueous property packages must use the "
f"same material flow basis."
)
# add ports
self.add_inlet_port(block=self.cv_aqueous, name="aqueous_inlet")
self.add_outlet_port(block=self.cv_aqueous, name="aqueous_outlet")
self.add_outlet_port(
block=self.precipitate_state_block, name="precipitate_outlet"
)
prop_aq = self.config.property_package_aqueous
prop_s = self.config.property_package_precipitate
# TODO remove when old precipitate liquid properties are removed
if self.config.make_volume_balance_constraint:
@self.Constraint(self.flowsheet().time, doc="volume balance equation.")
def vol_balance(blk, t):
return blk.cv_aqueous.properties_out[t].flow_vol == (
blk.cv_aqueous.properties_in[t].flow_vol
)
@self.Constraint(
self.flowsheet().time,
prop_s.component_list,
doc="Mass balance equations precipitate.",
)
def precipitate_generation(blk, t, comp):
return blk.precipitate_state_block[t].flow_mol_comp[comp] == (
(
blk.cv_aqueous.properties_in[t].flow_mol_comp[prop_s.react[comp]]
- blk.cv_aqueous.properties_out[t].flow_mol_comp[prop_s.react[comp]]
)
/ prop_s.stoich[comp]
)
@self.Constraint(
self.flowsheet().time,
prop_aq.dissolved_elements,
doc="Mass balance equations aqueous.",
)
def aqueous_depletion(blk, t, comp):
return blk.cv_aqueous.properties_out[t].conc_mass_comp[
comp
] * blk.cv_aqueous.properties_out[t].flow_vol == (
blk.cv_aqueous.properties_in[t].conc_mass_comp[comp]
* blk.cv_aqueous.properties_in[t].flow_vol
* (1 - prop_aq.split[comp] / 100)
)
