#################################################################################
# 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/"
#################################################################################
"""
Translator block representing the ADM1/ASM2d interface.
This is copied from the Generic template for a translator block.
Assumptions:
* Steady-state only
Model formulated from:
Flores-Alsina, X., Solon, K., Mbamba, C.K., Tait, S., Gernaey, K.V., Jeppsson, U. and Batstone, D.J., 2016.
Modelling phosphorus (P), sulfur (S) and iron (Fe) interactions for dynamic simulations of anaerobic digestion processes.
Water Research, 95, pp.370-382.
"""
# Import Pyomo libraries
from pyomo.common.config import ConfigBlock, ConfigValue
# Import IDAES cores
from idaes.core import declare_process_block_class
from idaes.models.unit_models.translator import TranslatorData
from idaes.core.util.config import (
is_reaction_parameter_block,
)
from idaes.core.util.model_statistics import degrees_of_freedom
from watertap.core.solvers import get_solver
import idaes.logger as idaeslog
import idaes.core.util.scaling as iscale
from idaes.core.util.exceptions import InitializationError
from pyomo.environ import (
units as pyunits,
check_optimal_termination,
Set,
Param,
)
__author__ = "Chenyu Wang, Marcus Holly, Xinhong Liu"
# Set up logger
_log = idaeslog.getLogger(__name__)
[docs]@declare_process_block_class("Translator_ADM1_ASM2D")
class TranslatorDataADM1ASM2D(TranslatorData):
"""
Translator block representing the ADM1/ASM2D interface
"""
CONFIG = TranslatorData.CONFIG()
CONFIG.declare(
"inlet_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(
"inlet_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(
"outlet_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(
"outlet_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.
Args:
None
Returns:
None
"""
# Call UnitModel.build to setup dynamics
super(TranslatorDataADM1ASM2D, self).build()
eps = 0
mw_p = 31 * pyunits.kg / pyunits.kmol
mw_n = 14 * pyunits.kg / pyunits.kmol
mw_c = 12 * pyunits.kg / pyunits.kmol
mw_XPP = 300.41 * pyunits.kg / pyunits.kmol
mw_k = 39.1 * pyunits.kg / pyunits.kmol
mw_mg = 24.3 * pyunits.kg / pyunits.kmol
@self.Constraint(
self.flowsheet().time,
doc="Equality volumetric flow equation",
)
def eq_flow_vol_rule(blk, t):
return blk.properties_out[t].flow_vol == blk.properties_in[t].flow_vol
@self.Constraint(
self.flowsheet().time,
doc="Equality temperature equation",
)
def eq_temperature_rule(blk, t):
return blk.properties_out[t].temperature == blk.properties_in[t].temperature
@self.Constraint(
self.flowsheet().time,
doc="Equality pressure equation",
)
def eq_pressure_rule(blk, t):
return blk.properties_out[t].pressure == blk.properties_in[t].pressure
# -------------------------------------------Step 1----------------------------------------------------------------#
@self.Expression(
self.flowsheet().time,
doc="Biomass concentration (kgCOD/m3)",
)
def biomass(blk, t):
return (
blk.properties_in[t].conc_mass_comp["X_su"]
+ blk.properties_in[t].conc_mass_comp["X_aa"]
+ blk.properties_in[t].conc_mass_comp["X_fa"]
+ blk.properties_in[t].conc_mass_comp["X_c4"]
+ blk.properties_in[t].conc_mass_comp["X_pro"]
+ blk.properties_in[t].conc_mass_comp["X_ac"]
+ blk.properties_in[t].conc_mass_comp["X_h2"]
+ blk.properties_in[t].conc_mass_comp["X_PAO"]
)
@self.Expression(
self.flowsheet().time, doc="S_ac concentration (kgCOD/m3) step 1"
)
def Sac_AD1(blk, t):
return (
blk.properties_in[t].conc_mass_comp["S_ac"]
+ blk.properties_in[t].conc_mass_comp["X_PHA"]
)
@self.Expression(
self.flowsheet().time, doc="S_IC concentration at (kmolC/m3) step 1"
)
def SIC_AD1(blk, t):
return (
blk.config.inlet_reaction_package.Ci["X_su"] * blk.biomass[t]
- (
blk.config.inlet_reaction_package.f_sI_xc
* blk.config.inlet_reaction_package.Ci["S_I"]
* blk.biomass[t]
)
- (
blk.config.inlet_reaction_package.f_ch_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ci["X_ch"]
)
- (
blk.config.inlet_reaction_package.f_pr_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ci["X_pr"]
)
- (
blk.config.inlet_reaction_package.f_li_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ci["X_li"]
)
- (
blk.config.inlet_reaction_package.f_xI_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ci["X_I"]
)
+ (
blk.properties_in[t].conc_mass_comp["X_PHA"]
* blk.config.inlet_reaction_package.Ci["X_PHA"]
)
- (
blk.properties_in[t].conc_mass_comp["X_PHA"]
* blk.config.inlet_reaction_package.Ci["S_ac"]
)
)
@self.Expression(
self.flowsheet().time, doc="S_IN concentration (kmolN/m3) step 1"
)
def SIN_AD1(blk, t):
return (
blk.config.inlet_reaction_package.Ni["X_su"] * blk.biomass[t]
- (
blk.config.inlet_reaction_package.f_sI_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ni["S_I"]
)
- (
blk.config.inlet_reaction_package.f_pr_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ni["X_pr"]
)
- (
blk.config.inlet_reaction_package.f_xI_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Ni["X_I"]
)
)
@self.Expression(
self.flowsheet().time, doc="S_I concentration (kgCOD/m3) step 1"
)
def SI_AD1(blk, t):
return blk.properties_in[t].conc_mass_comp["S_I"] + (
blk.config.inlet_reaction_package.f_sI_xc * blk.biomass[t]
)
@self.Expression(
self.flowsheet().time, doc="X_ch concentration (kgCOD/m3) step 1"
)
def Xch_AD1(blk, t):
return blk.properties_in[t].conc_mass_comp["X_ch"] + (
blk.config.inlet_reaction_package.f_ch_xc * blk.biomass[t]
)
@self.Expression(
self.flowsheet().time, doc="X_pr concentration (kgCOD/m3) step 1"
)
def Xpr_AD1(blk, t):
return blk.properties_in[t].conc_mass_comp["X_pr"] + (
blk.config.inlet_reaction_package.f_pr_xc * blk.biomass[t]
)
@self.Expression(
self.flowsheet().time, doc="X_li concentration (kgCOD/m3) step 1"
)
def Xli_AD1(blk, t):
return blk.properties_in[t].conc_mass_comp["X_li"] + (
blk.config.inlet_reaction_package.f_li_xc * blk.biomass[t]
)
@self.Expression(
self.flowsheet().time, doc="X_I concentration (kgCOD/m3) step 1"
)
def XI_AD1(blk, t):
return blk.properties_in[t].conc_mass_comp["X_I"] + (
blk.config.inlet_reaction_package.f_xI_xc * blk.biomass[t]
)
@self.Expression(
self.flowsheet().time, doc="S_IP concentration at (kmolP/m3) step 1"
)
def SIP_AD1(blk, t):
return (
blk.properties_in[t].conc_mass_comp["X_PP"] / mw_XPP
+ (blk.config.inlet_reaction_package.Pi["X_su"] * blk.biomass[t])
- (
blk.config.inlet_reaction_package.f_sI_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Pi["S_I"]
)
- (
blk.config.inlet_reaction_package.f_ch_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.P_ch
)
- (
blk.config.inlet_reaction_package.f_li_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Pi["X_li"]
)
- (
blk.config.inlet_reaction_package.f_xI_xc
* blk.biomass[t]
* blk.config.inlet_reaction_package.Pi["X_I"]
)
)
self.XPHA_AD1 = Param(
initialize=eps,
units=pyunits.kg / pyunits.m**3,
mutable=True,
doc="Mass concentration of X_PHA at step 1",
)
self.XPP_AD1 = Param(
initialize=eps,
units=pyunits.kmol / pyunits.m**3,
mutable=True,
doc="Molar concentration of X_PP at step 1",
)
self.XPAO_AD1 = Param(
initialize=eps,
units=pyunits.kg / pyunits.m**3,
mutable=True,
doc="Mass concentration of X_PAO at step 1",
)
# -------------------------------------------Step 2----------------------------------------------------------------#
@self.Expression(
self.flowsheet().time, doc="S_IC concentration at (kmolC/m3) step 2"
)
def SIC_AD2(blk, t):
return (
blk.Xch_AD1[t] * blk.config.inlet_reaction_package.Ci["X_ch"]
+ (blk.Xpr_AD1[t] * blk.config.inlet_reaction_package.Ci["X_pr"])
+ (blk.Xli_AD1[t] * blk.config.inlet_reaction_package.Ci["X_li"])
- blk.config.outlet_reaction_package.i_CXS
/ mw_c
* (blk.Xch_AD1[t] + blk.Xpr_AD1[t] + blk.Xli_AD1[t])
+ blk.properties_in[t].conc_mass_comp["S_su"]
* blk.config.inlet_reaction_package.Ci["S_su"]
+ blk.properties_in[t].conc_mass_comp["S_aa"]
* blk.config.inlet_reaction_package.Ci["S_aa"]
+ blk.properties_in[t].conc_mass_comp["S_fa"]
* blk.config.inlet_reaction_package.Ci["S_fa"]
- blk.config.outlet_reaction_package.i_CSF
/ mw_c
* (
blk.properties_in[t].conc_mass_comp["S_su"]
+ blk.properties_in[t].conc_mass_comp["S_aa"]
+ blk.properties_in[t].conc_mass_comp["S_fa"]
)
+ blk.properties_in[t].conc_mass_comp["S_va"]
* blk.config.inlet_reaction_package.Ci["S_va"]
+ blk.properties_in[t].conc_mass_comp["S_bu"]
* blk.config.inlet_reaction_package.Ci["S_bu"]
+ blk.properties_in[t].conc_mass_comp["S_pro"]
* blk.config.inlet_reaction_package.Ci["S_pro"]
+ blk.Sac_AD1[t] * blk.config.inlet_reaction_package.Ci["S_ac"]
- blk.config.outlet_reaction_package.i_CSA
/ mw_c
* (
blk.properties_in[t].conc_mass_comp["S_va"]
+ blk.properties_in[t].conc_mass_comp["S_bu"]
+ blk.properties_in[t].conc_mass_comp["S_pro"]
+ blk.Sac_AD1[t]
)
)
@self.Expression(
self.flowsheet().time, doc="S_IN concentration at (kmolN/m3) step 2"
)
def SIN_AD2(blk, t):
return (
blk.Xpr_AD1[t] * blk.config.inlet_reaction_package.Ni["X_pr"]
- blk.config.outlet_reaction_package.i_NXS
/ mw_n
* (blk.Xch_AD1[t] + blk.Xpr_AD1[t] + blk.Xli_AD1[t])
+ blk.properties_in[t].conc_mass_comp["S_aa"]
* blk.config.inlet_reaction_package.Ni["S_aa"]
- blk.config.outlet_reaction_package.i_NSF
/ mw_n
* (
blk.properties_in[t].conc_mass_comp["S_su"]
+ blk.properties_in[t].conc_mass_comp["S_fa"]
+ blk.properties_in[t].conc_mass_comp["S_va"]
)
)
@self.Expression(
self.flowsheet().time, doc="S_IP concentration at (kmolP/m3) step 2"
)
def SIP_AD2(blk, t):
return (
self.XPP_AD1
+ blk.Xch_AD1[t] * blk.config.inlet_reaction_package.P_ch
+ blk.Xli_AD1[t] * blk.config.inlet_reaction_package.Pi["X_li"]
- blk.config.outlet_reaction_package.i_PXS
/ mw_p
* (blk.Xch_AD1[t] + blk.Xpr_AD1[t] + blk.Xli_AD1[t])
- blk.config.outlet_reaction_package.i_PSF
/ mw_p
* (
blk.properties_in[t].conc_mass_comp["S_su"]
+ blk.properties_in[t].conc_mass_comp["S_fa"]
+ blk.properties_in[t].conc_mass_comp["S_va"]
)
)
@self.Expression(
self.flowsheet().time, doc="S_K concentration at (kmolK/m3) step 2"
)
def SK_AD2(blk, t):
return blk.properties_in[t].conc_mass_comp["S_K"] / mw_k + self.XPP_AD1 / 3
@self.Expression(
self.flowsheet().time, doc="S_Mg concentration at (kmolMg/m3) step 2"
)
def SMg_AD2(blk, t):
return (
blk.properties_in[t].conc_mass_comp["S_Mg"] / mw_mg + self.XPP_AD1 / 3
)
@self.Constraint(
self.flowsheet().time, doc="S_F concentration output (kgCOD/m3)"
)
def SF_output(blk, t):
return (
blk.properties_out[t].conc_mass_comp["S_F"]
== blk.properties_in[t].conc_mass_comp["S_su"]
+ blk.properties_in[t].conc_mass_comp["S_aa"]
+ blk.properties_in[t].conc_mass_comp["S_fa"]
)
@self.Constraint(
self.flowsheet().time, doc="S_A concentration output (kgCOD/m3)"
)
def SA_output(blk, t):
return (
blk.properties_out[t].conc_mass_comp["S_A"]
== blk.properties_in[t].conc_mass_comp["S_va"]
+ blk.properties_in[t].conc_mass_comp["S_bu"]
+ blk.properties_in[t].conc_mass_comp["S_pro"]
+ blk.Sac_AD1[t]
)
@self.Constraint(
self.flowsheet().time, doc="S_I concentration output (kgCOD/m3)"
)
def SI_output(blk, t):
return blk.properties_out[t].conc_mass_comp["S_I"] == blk.SI_AD1[t]
@self.Constraint(
self.flowsheet().time, doc="S_NH4 concentration output (kgN/m3)"
)
def SNH4_output(blk, t):
return blk.properties_out[t].conc_mass_comp["S_NH4"] == mw_n * (
blk.properties_in[t].conc_mass_comp["S_IN"] / mw_n
+ blk.SIN_AD1[t]
+ blk.SIN_AD2[t]
)
@self.Constraint(
self.flowsheet().time, doc="S_PO4 concentration output (kgP/m3)"
)
def SPO4_output(blk, t):
return blk.properties_out[t].conc_mass_comp["S_PO4"] == mw_p * (
blk.properties_in[t].conc_mass_comp["S_IP"] / mw_p
+ blk.SIP_AD1[t]
+ blk.SIP_AD2[t]
)
@self.Constraint(
self.flowsheet().time, doc="S_IC concentration output (kgC/m3)"
)
def SIC_output(blk, t):
return blk.properties_out[t].conc_mass_comp["S_IC"] == mw_c * (
blk.properties_in[t].conc_mass_comp["S_IC"] / mw_c
+ blk.SIC_AD1[t]
+ blk.SIC_AD2[t]
)
@self.Constraint(
self.flowsheet().time, doc="X_I concentration output (kgCOD/m3)"
)
def XI_output(blk, t):
return blk.properties_out[t].conc_mass_comp["X_I"] == blk.XI_AD1[t]
@self.Constraint(
self.flowsheet().time, doc="X_S concentration output (kgCOD/m3)"
)
def XS_output(blk, t):
return (
blk.properties_out[t].conc_mass_comp["X_S"]
== blk.Xch_AD1[t] + blk.Xpr_AD1[t] + blk.Xli_AD1[t]
)
@self.Constraint(
self.flowsheet().time, doc="S_K concentration output (kgCOD/m3)"
)
# TODO: Need to add precipitation term for X_Kstruv
def SK_output(blk, t):
return blk.properties_out[t].conc_mass_comp["S_K"] == blk.SK_AD2[t] * mw_k
@self.Constraint(
self.flowsheet().time, doc="S_Mg concentration output (kgCOD/m3)"
)
def SMg_output(blk, t):
return (
blk.properties_out[t].conc_mass_comp["S_Mg"] == blk.SMg_AD2[t] * mw_mg
)
self.zero_flow_components = Set(
initialize=[
"S_O2",
"S_N2",
"S_NO3",
"X_H",
"X_PAO",
"X_PP",
"X_PHA",
"X_AUT",
]
)
@self.Constraint(
self.flowsheet().time,
self.zero_flow_components,
doc="Components with no flow equation",
)
def return_zero_flow_comp(blk, t, i):
return (
blk.properties_out[t].conc_mass_comp[i]
== 1e-10 * pyunits.kg / pyunits.m**3
)
iscale.set_scaling_factor(self.properties_out[0].flow_vol, 1e5)
[docs] def initialize_build(
self,
state_args_in=None,
state_args_out=None,
outlvl=idaeslog.NOTSET,
solver=None,
optarg=None,
):
"""
This method calls the initialization method of the state blocks.
Keyword Arguments:
state_args_in : a dict of arguments to be passed to the inlet
property package (to provide an initial state for
initialization (see documentation of the specific
property package) (default = None).
state_args_out : a dict of arguments to be passed to the outlet
property package (to provide an initial state for
initialization (see documentation of the specific
property package) (default = None).
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 solver)
Returns:
None
"""
init_log = idaeslog.getInitLogger(self.name, outlvl, tag="unit")
# Create solver
opt = get_solver(solver, optarg)
# ---------------------------------------------------------------------
# Initialize state block
flags = self.properties_in.initialize(
outlvl=outlvl,
optarg=optarg,
solver=solver,
state_args=state_args_in,
hold_state=True,
)
self.properties_out.initialize(
outlvl=outlvl,
optarg=optarg,
solver=solver,
state_args=state_args_out,
)
if degrees_of_freedom(self) != 0:
raise Exception(
f"{self.name} degrees of freedom were not 0 at the beginning "
f"of initialization. DoF = {degrees_of_freedom(self)}"
)
with idaeslog.solver_log(init_log, idaeslog.DEBUG) as slc:
res = opt.solve(self, tee=slc.tee)
self.properties_in.release_state(flags=flags, outlvl=outlvl)
init_log.info(f"Initialization Complete: {idaeslog.condition(res)}")
if not check_optimal_termination(res):
raise InitializationError(
f"{self.name} failed to initialize successfully. Please check "
f"the output logs for more information."
)