#################################################################################
# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
# National Renewable Energy Laboratory, and National Energy Technology
# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
# of Energy). All rights reserved.
#
# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
# information, respectively. These files are also available online at the URL
# "https://github.com/watertap-org/watertap/"
#################################################################################
"""
This module contains the general purpose property package for zero-order
unit models. Zero-order models do not track temperature and pressure, or any
form of energy flow.
"""
from idaes.core import (
EnergyBalanceType,
MaterialBalanceType,
MaterialFlowBasis,
PhysicalParameterBlock,
StateBlock,
StateBlockData,
declare_process_block_class,
)
from idaes.core.base.components import Solvent, Solute
from idaes.core.base.phases import LiquidPhase
from idaes.core.util.initialization import fix_state_vars, revert_state_vars
import idaes.logger as idaeslog
import idaes.core.util.scaling as iscale
from idaes.core.util.exceptions import ConfigurationError
from pyomo.environ import Expression, Param, PositiveReals, units as pyunits, Var
from pyomo.common.config import ConfigValue
# Some more inforation about this module
__author__ = "Andrew Lee"
# Set up logger
_log = idaeslog.getLogger(__name__)
[docs]@declare_process_block_class("WaterParameterBlock")
class WaterParameterBlockData(PhysicalParameterBlock):
"""
Property Parameter Block Class
Defines component and phase lists, along with base units and constant
parameters.
"""
CONFIG = PhysicalParameterBlock.CONFIG()
CONFIG.declare(
"database",
ConfigValue(
description="An instance of a WaterTAP Database to use for parameters."
),
)
CONFIG.declare(
"water_source",
ConfigValue(
description="Water source to use when looking up parameters from database."
),
)
CONFIG.declare(
"solute_list",
ConfigValue(
domain=list,
description="List of solute species of interest. If None, will use "
"all species defined in the water_source provided.",
),
)
[docs] def build(self):
"""
Callable method for Block construction.
"""
super().build()
self._state_block_class = WaterStateBlock
self.Liq = LiquidPhase()
self.H2O = Solvent()
# Get component set from database if provided
comp_set = None
if self.config.database is not None:
comp_set = self.config.database.get_solute_set(self.config.water_source)
# Check definition of solute list
solute_list = self.config.solute_list
if solute_list is None:
# No user-provided solute list, look up list from database
if comp_set is None:
# No solute list in database and none provided.
raise ConfigurationError(
f"{self.name} no solute_list or database was defined. "
f"Users must provide at least one of these arguments."
)
else:
solute_list = comp_set
elif self.config.database is not None:
# User provided custom list and database - check that all
# components are supported
for j in solute_list:
if j not in comp_set:
_log.info(
f"{self.name} component {j} is not defined in "
f"the water_sources database file."
)
else:
# User provided list but no database - assume they know what they
# are doing
pass
for j in solute_list:
self.add_component(str(j), Solute())
# Define default value for mass density of solution
self.dens_mass_default = 1000 * pyunits.kg / pyunits.m**3
# Define default value for dynamic viscosity of solution
self.visc_d_default = 0.001 * pyunits.kg / pyunits.m / pyunits.s
# ---------------------------------------------------------------------
# Set default scaling factors
self.set_default_scaling("flow_vol", 1e3)
self.set_default_scaling("conc_mass_comp", 1e2)
class _WaterStateBlock(StateBlock):
"""
This Class contains methods which should be applied to Property Blocks as a
whole, rather than individual elements of indexed Property Blocks.
"""
def initialize(
self,
state_args=None,
state_vars_fixed=False,
hold_state=False,
outlvl=idaeslog.NOTSET,
solver=None,
optarg=None,
):
"""
Initialization routine for property package.
Keyword Arguments:
state_args : Dictionary with initial guesses for the state vars
chosen. Note that if this method is triggered
through the control volume, and if initial guesses
were not provied at the unit model level, the
control volume passes the inlet values as initial
guess.The keys for the state_args dictionary are:
flow_mol_comp : value at which to initialize component
flows (default=None)
pressure : value at which to initialize pressure
(default=None)
temperature : value at which to initialize temperature
(default=None)
outlvl : sets output level of initialization routine
state_vars_fixed: Flag to denote if state vars have already been
fixed.
- True - states have already been fixed and
initialization does not need to worry
about fixing and unfixing variables.
- False - states have not been fixed. The state
block will deal with fixing/unfixing.
optarg : solver options dictionary object (default=None, use
default solver options)
solver : str indicating which solver to use during
initialization (default = None, use default solver)
hold_state : flag indicating whether the initialization routine
should unfix any state variables fixed during
initialization (default=False).
- True - states varaibles are not unfixed, and
a dict of returned containing flags for
which states were fixed during
initialization.
- False - state variables are unfixed after
initialization by calling the
relase_state method
Returns:
If hold_states is True, returns a dict containing flags for
which states were fixed during initialization.
"""
# For now, there are no constraints in the property package, so only
# fix state variables if required
init_log = idaeslog.getInitLogger(self.name, outlvl, tag="properties")
init_log.info("Initialization Complete.")
if hold_state is True:
flags = fix_state_vars(self, state_args)
return flags
else:
return
def release_state(self, flags, outlvl=idaeslog.NOTSET):
"""
Method to release state variables fixed during initialization.
Keyword Arguments:
flags : dict containing information of which state variables
were fixed during initialization, and should now be
unfixed. This dict is returned by initialize if
hold_state=True.
outlvl : sets output level of of logging
"""
init_log = idaeslog.getInitLogger(self.name, outlvl, tag="properties")
if flags is None:
return
# Unfix state variables
revert_state_vars(self, flags)
init_log.info("State Released.")
[docs]@declare_process_block_class("WaterStateBlock", block_class=_WaterStateBlock)
class WaterStateBlockData(StateBlockData):
"""
General purpose StateBlock for Zero-Order unit models.
"""
[docs] def build(self):
super().build()
# Create state variables
self.flow_mass_comp = Var(
self.component_list,
initialize=1,
domain=PositiveReals,
doc="Mass flowrate of each component",
units=pyunits.kg / pyunits.s,
)
# -------------------------------------------------------------------------
# Other properties
def _conc_mass_comp(self):
def rule_cmc(self, j):
return (
self.flow_mass_comp[j]
/ sum(self.flow_mass_comp[k] for k in self.component_list)
* self.dens_mass
)
self.conc_mass_comp = Expression(self.component_list, rule=rule_cmc)
def _dens_mass(self):
self.dens_mass = Param(
initialize=self.params.dens_mass_default,
units=pyunits.kg / pyunits.m**3,
mutable=True,
doc="Mass density of flow",
)
def _flow_vol(self):
self.flow_vol = Expression(
expr=sum(self.flow_mass_comp[j] for j in self.component_list)
/ self.dens_mass
)
def _visc_d(self):
self.visc_d = Param(
initialize=self.params.visc_d_default,
units=pyunits.kg / pyunits.m / pyunits.s,
mutable=True,
doc="Dynamic viscosity of solution",
)
[docs] def get_material_flow_terms(self, p, j):
return self.flow_mass_comp[j]
[docs] def get_enthalpy_flow_terms(self, p):
raise NotImplementedError
[docs] def get_material_density_terms(self, p, j):
return self.conc_mass_comp[j]
[docs] def get_energy_density_terms(self, p):
raise NotImplementedError
def default_material_balance_type(self):
return MaterialBalanceType.componentTotal
def default_energy_balance_type(self):
return EnergyBalanceType.none
[docs] def define_state_vars(self):
return {"flow_mass_comp": self.flow_mass_comp}
[docs] def define_display_vars(self):
return {
"Volumetric Flowrate": self.flow_vol,
"Mass Concentration": self.conc_mass_comp,
}
[docs] def get_material_flow_basis(self):
return MaterialFlowBasis.mass
def calculate_scaling_factors(self):
# Get default scale factors and do calculations from base classes
super().calculate_scaling_factors()
d_sf_Q = self.params.get_default_scaling("flow_vol")
d_sf_c = self.params.get_default_scaling("conc_mass_comp")
for j, v in self.flow_mass_comp.items():
if iscale.get_scaling_factor(v) is None:
iscale.set_scaling_factor(v, d_sf_Q * d_sf_c)
if self.is_property_constructed("flow_vol"):
if iscale.get_scaling_factor(self.flow_vol) is None:
iscale.set_scaling_factor(self.flow_vol, d_sf_Q)
if self.is_property_constructed("conc_mass_comp"):
for j, v in self.conc_mass_comp.items():
sf_c = iscale.get_scaling_factor(self.conc_mass_comp[j])
if sf_c is None:
sf_c = self.params.get_default_scaling("conc_mass_comp", j)
if sf_c is None:
sf_c = d_sf_c
iscale.set_scaling_factor(self.conc_mass_comp[j], sf_c)