###############################################################################
# WaterTAP Copyright (c) 2021, 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 methods for constructing the material balances for
zero-order single-input/single-output (SISO) unit models (i.e. units with a single inlet and single
outlet where composition changes, such as a generic bioreactor).
"""
import idaes.logger as idaeslog
from idaes.core.solvers import get_solver
import idaes.core.util.scaling as iscale
from idaes.core.util.exceptions import InitializationError
from pyomo.environ import (
check_optimal_termination,
NonNegativeReals,
Var,
units as pyunits,
)
# Some more information about this module
__author__ = "Adam Atia"
# Set up logger
_log = idaeslog.getLogger(__name__)
[docs]def build_siso(self):
"""
Helper method for constructing material balances for zero-order type models
with SISO behavior.
Two StateBlocks are added with two corresponding Ports:
* properties_in --> inlet
* properties_treated ---> treated
Two additional variables are added:
* recovery_frac_mass_H2O (indexed by time)
* removal_frac_mass_solute (indexed by time and solute)
Two additional constraints are added to represent the material balances
* water_recovery_equation (indexed by time)
* solute_treated_equation (indexed by time and solute)
This method also sets private attributes on the unit model with references
to the appropriate initialization and scaling methods to use and to return
the inlet volumetric flow rate.
"""
self._has_recovery_removal = True
self._initialize = initialize_siso
self._scaling = calculate_scaling_factors_siso
# Create state blocks for inlet and outlets
tmp_dict = dict(**self.config.property_package_args)
tmp_dict["has_phase_equilibrium"] = False
tmp_dict["defined_state"] = True
self.properties_in = self.config.property_package.build_state_block(
self.flowsheet().time, doc="Material properties at inlet", default=tmp_dict
)
tmp_dict_2 = dict(**tmp_dict)
tmp_dict_2["defined_state"] = False
self.properties_treated = self.config.property_package.build_state_block(
self.flowsheet().time,
doc="Material properties of treated water",
default=tmp_dict_2,
)
# Create Ports
self.add_port("inlet", self.properties_in, doc="Inlet port")
self.add_port("treated", self.properties_treated, doc="Treated water outlet port")
# Add performance variables
self.recovery_frac_mass_H2O = Var(
self.flowsheet().time,
initialize=0.8,
domain=NonNegativeReals,
units=pyunits.dimensionless,
bounds=(1e-8, 1.0000001),
doc="Mass recovery fraction of water in the treated stream",
)
self.removal_frac_mass_solute = Var(
self.flowsheet().time,
self.config.property_package.solute_set,
domain=NonNegativeReals,
initialize=0.01,
units=pyunits.dimensionless,
doc="Solute removal fraction on a mass basis",
)
# Add performance constraints
# Water recovery
@self.Constraint(self.flowsheet().time, doc="Water recovery equation")
def water_recovery_equation(b, t):
return (
b.recovery_frac_mass_H2O[t] * b.properties_in[t].flow_mass_comp["H2O"]
== b.properties_treated[t].flow_mass_comp["H2O"]
)
# Solute concentration of treated stream
@self.Constraint(
self.flowsheet().time,
self.config.property_package.solute_set,
doc="Constraint for solute concentration in treated " "stream.",
)
def solute_treated_equation(b, t, j):
return (1 - b.removal_frac_mass_solute[t, j]) * b.properties_in[
t
].flow_mass_comp[j] == b.properties_treated[t].flow_mass_comp[j]
self._stream_table_dict = {"Inlet": self.inlet, "Treated": self.treated}
self._perf_var_dict["Solute Removal"] = self.removal_frac_mass_solute
self._get_Q = _get_Q_siso
[docs]def initialize_siso(
blk, state_args=None, outlvl=idaeslog.NOTSET, solver=None, optarg=None
):
"""
Initialization routine for single inlet-single outlet unit models.
Keyword Arguments:
state_args : a dict of arguments to be passed to the property
package(s) to provide an initial state for
initialization (see documentation of the specific
property package) (default = {}).
outlvl : sets output level of initialization routine
optarg : solver options dictionary object (default=None, use
default solver options)
solver : str indicating which solver to use during
initialization (default = None, use default IDAES solver)
Returns:
None
"""
if optarg is None:
optarg = {}
# Set solver options
init_log = idaeslog.getInitLogger(blk.name, outlvl, tag="unit")
solve_log = idaeslog.getSolveLogger(blk.name, outlvl, tag="unit")
solver_obj = get_solver(solver, optarg)
# Get initial guesses for inlet if none provided
if state_args is None:
state_args = {}
state_dict = blk.properties_in[
blk.flowsheet().time.first()
].define_port_members()
for k in state_dict.keys():
if state_dict[k].is_indexed():
state_args[k] = {}
for m in state_dict[k].keys():
state_args[k][m] = state_dict[k][m].value
else:
state_args[k] = state_dict[k].value
# ---------------------------------------------------------------------
# Initialize state blocks
flags = blk.properties_in.initialize(
outlvl=outlvl,
optarg=optarg,
solver=solver,
state_args=state_args,
hold_state=True,
)
blk.properties_treated.initialize(
outlvl=outlvl,
optarg=optarg,
solver=solver,
state_args=state_args,
hold_state=False,
)
init_log.info_high("Initialization Step 1 Complete.")
# ---------------------------------------------------------------------
# Solve unit
with idaeslog.solver_log(solve_log, idaeslog.DEBUG) as slc:
results = solver_obj.solve(blk, tee=slc.tee)
init_log.info_high("Initialization Step 2 {}.".format(idaeslog.condition(results)))
# ---------------------------------------------------------------------
# Release Inlet state
blk.properties_in.release_state(flags, outlvl)
init_log.info("Initialization Complete: {}".format(idaeslog.condition(results)))
if not check_optimal_termination(results):
raise InitializationError(
f"{blk.name} failed to initialize successfully. Please check "
f"the output logs for more information."
)
def calculate_scaling_factors_siso(self):
# Get default scale factors and do calculations from base classes
for t, v in self.water_recovery_equation.items():
iscale.constraint_scaling_transform(
v,
iscale.get_scaling_factor(
self.properties_in[t].flow_mass_comp["H2O"],
default=1,
warning=True,
hint=" for water recovery",
),
)
for (t, j), v in self.solute_treated_equation.items():
iscale.constraint_scaling_transform(
v,
iscale.get_scaling_factor(
self.properties_in[t].flow_mass_comp[j], default=1, warning=False
),
) # would just be a duplicate of above
def _get_Q_siso(self, t):
return self.properties_in[t].flow_vol