Source code for watertap.property_models.activated_sludge.modified_asm2d_reactions

#################################################################################
# WaterTAP Copyright (c) 2020-2023, 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/"
#################################################################################
"""
Modified ASM2d reaction package.

Reference:

X. Flores-Alsina, K. Solon, C.K. Mbamba, S. Tait, K.V. Gernaey, U. Jeppsson, D.J. Batstone,
Modelling phosphorus (P), sulfur (S) and iron (Fe) interactions fordynamic simulations of anaerobic digestion processes,
Water Research. 95 (2016) 370-382. https://www.sciencedirect.com/science/article/pii/S0043135416301397
"""

# Import Pyomo libraries
import pyomo.environ as pyo
from pyomo.common.config import ConfigValue, In

from enum import Enum, auto

# Import IDAES cores
from idaes.core import (
    declare_process_block_class,
    MaterialFlowBasis,
    ReactionParameterBlock,
    ReactionBlockDataBase,
    ReactionBlockBase,
)
from idaes.core.util.misc import add_object_reference
from idaes.core.util.exceptions import BurntToast

import idaes.logger as idaeslog
import idaes.core.util.scaling as iscale


# Some more information about this module
__author__ = "Marcus Holly, Adam Atia, Xinhong Liu"


# Set up logger
_log = idaeslog.getLogger(__name__)


[docs]class DecaySwitch(Enum): on = auto() off = auto()
[docs]@declare_process_block_class("ModifiedASM2dReactionParameterBlock") class ModifiedASM2dReactionParameterData(ReactionParameterBlock): """ Property Parameter Block Class """ CONFIG = ReactionParameterBlock.CONFIG() CONFIG.declare( "decay_switch", ConfigValue( default=DecaySwitch.on, domain=In(DecaySwitch), description="Switching function for decay", doc=""" Switching function for handling decay in reaction rate expressions. **default** - `DecaySwitch.on`` .. csv-table:: :header: "Configuration Options", "Description" "``DecaySwitch.on``", "The decay of heterotrophs and autotrophs is dependent on the electron acceptor present" "``DecaySwitch.off``", "The decay of heterotrophs and autotrophs does not change" """, ), )
[docs] def build(self): """ Callable method for Block construction. """ super().build() self._reaction_block_class = ModifiedASM2dReactionBlock # Reaction Index # Reaction names based on standard numbering in ASM2d paper # R1: Aerobic hydrolysis # R2: Anoxic hydrolysis # R3: Anaerobic hydrolysis # R4: Aerobic growth on S_F # R5: Aerobic growth on S_A # R6: Anoxic growth on S_F # R7: Anoxic growth on S_A, denitrification # R8: Fermentation # R9: Lysis # R10: Storage of X_PHA # R11: Aerobic storage of X_PP # R12: Anoxic storage of X_PP # R13: Aerobic growth of X_PAO # R14: Anoxic growth of X_PAO # R15: Lysis of X_PAO # R16: Lysis of X_PP # R17: Lysis of X_PHA # R18: Aerobic growth of X_AUT # R19: Lysis of X_AUT self.rate_reaction_idx = pyo.Set( initialize=[ "R1", "R2", "R3", "R4", "R5", "R6", "R7", "R8", "R9", "R10", "R11", "R12", "R13", "R14", "R15", "R16", "R17", "R18", "R19", ] ) # Stoichiometric Parameters self.i_CSI = pyo.Var( initialize=0.36178, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD S_I, [kg C/kg COD]", ) self.i_CSF = pyo.Var( initialize=0.31843, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD S_F, [kg C/kg COD]", ) self.i_CSA = pyo.Var( initialize=0.37500, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD S_A, [kg C/kg COD]", ) self.i_CXI = pyo.Var( initialize=0.36178, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD X_I, [kg C/kg COD]", ) self.i_CXS = pyo.Var( initialize=0.31843, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD X_S, [kg C/kg COD]", ) self.i_CXB = pyo.Var( initialize=0.36612, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="C content of inert soluble COD X_B, [kg C/kg COD]", ) self.i_NSI = pyo.Var( initialize=0.06003, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="N content of inert soluble COD S_I, [kg N/kg COD]", ) self.i_NSF = pyo.Var( initialize=0.03352, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="N content of fermentable substrate, S_F, [kg N/kg COD]", ) self.i_NXI = pyo.Var( initialize=0.06003, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="N content of inert particulate COD X_I, [kg N/kg COD]", ) self.i_NXS = pyo.Var( initialize=0.03352, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="N content of slowly biodegradable substrate X_S, [kg N/kg COD]", ) self.i_NBM = pyo.Var( initialize=0.08615, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="N content of biomass, X_H, X_PAO, X_AUT, [kg N/kg COD]", ) self.i_PSF = pyo.Var( initialize=0.00559, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="P content of fermentable substrate, S_F, [kg P/kg COD]", ) self.i_PXI = pyo.Var( initialize=0.00649, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="P content of inert particulate COD X_I, [kg P/kg COD]", ) self.i_PXS = pyo.Var( initialize=0.00559, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="P content of slowly biodegradable substrate X_S, [kg P/kg COD]", ) self.i_PBM = pyo.Var( initialize=0.02154, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="P content of biomass, X_H, X_PAO, X_AUT, [kg P/kg COD]", ) self.f_SI = pyo.Var( initialize=0.00, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Production of S_I in hydrolysis, [kg COD/kg COD]", ) self.Y_H = pyo.Var( initialize=0.625, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Yield coefficient for heterotrophic biomass, [kg COD/kg COD]", ) self.f_XI = pyo.Var( initialize=0.1, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Fraction of inert COD generated in lysis, [kg COD/kg COD]", ) self.Y_PAO = pyo.Var( initialize=0.625, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Yield coefficient for P accumulating organisms (biomass/PHA), [kg COD/kg COD]", ) self.Y_PO4 = pyo.Var( initialize=0.0129, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="PP requirement (PO4 release) per PHA stored, [kg P/kg COD]", ) self.Y_PHA = pyo.Var( initialize=0.20, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="PHA requirement for PP storage, [kg COD/kg P]", ) self.Y_A = pyo.Var( initialize=0.24, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Yield of autotrophic biomass per NO3- N, [kg COD/kg N]", ) self.i_KXPP = pyo.Var( initialize=0.4204, units=pyo.units.dimensionless, domain=pyo.PositiveReals, doc="Potassium coefficient for polyphosphates", ) self.i_MgXPP = pyo.Var( initialize=0.2614, units=pyo.units.dimensionless, domain=pyo.PositiveReals, doc="Magnesium coefficient for polyphosphates", ) self.i_NOx_N2 = pyo.Var( initialize=2.8571, units=pyo.units.dimensionless, domain=pyo.PositiveReals, doc="Nitrogen oxide coefficient for N2", ) # Kinetic Parameters self.K_H = pyo.Var( initialize=2.46, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Hydrolysis rate constant", ) self.hL_NO3 = pyo.Var( initialize=0.60, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic hydrolysis reduction factor", ) self.hL_fe = pyo.Var( initialize=0.40, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anaerobic hydrolysis reduction factor", ) self.KH_O2 = pyo.Var( initialize=2e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for oxygen, [kg O2/m^3]", ) self.KL_O2 = pyo.Var( initialize=2e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation/inhibition coefficient for oxygen, [kg O2/m^3]", ) self.KA_O2 = pyo.Var( initialize=5e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation/inhibition coefficient for oxygen, [kg O2/m^3]", ) self.KP_O2 = pyo.Var( initialize=2e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for oxygen, [kg O2/m^3]", ) self.KH_NO3 = pyo.Var( initialize=5e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation/inhibition coefficient for nitrate, [kg N/m^3]", ) self.KA_NO3 = pyo.Var( initialize=5e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation/inhibition coefficient for nitrate, [kg N/m^3]", ) self.KL_NO3 = pyo.Var( initialize=5e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation/inhibition coefficient for nitrate, [kg N/m^3]", ) self.KP_NO3 = pyo.Var( initialize=5e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for nitrate, [kg N/m^3]", ) self.KL_X = pyo.Var( initialize=0.1, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Saturation coefficient for particulate COD, [kg X_S/kg X_H]", ) self.mu_H = pyo.Var( initialize=4.23, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Maximum growth rate on substrate, [kg X_S/kg X_H/day]", ) self.q_fe = pyo.Var( initialize=2.11, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Maximum rate for fermentation, [kg S_F/kg X_H/day]", ) self.b_H = pyo.Var( initialize=0.28, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate constant for lysis and decay", ) self.K_F = pyo.Var( initialize=4e-3, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for growth on SF, [kg COD/m^3]", ) self.K_fe = pyo.Var( initialize=4e-3, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for fermentation of SF, [kg COD/m^3]", ) self.KH_A = pyo.Var( initialize=4e-3, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for growth on acetate SA, [kg COD/m^3]", ) self.KP_A = pyo.Var( initialize=4e-3, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for acetate SA, [kg COD/m^3]", ) self.KH_NH4 = pyo.Var( initialize=5e-5, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for ammonium (nutrient), [kg N/m^3]", ) self.KA_NH4 = pyo.Var( initialize=1e-3, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for SNH4, [kg N/m^3]", ) self.KP_NH4 = pyo.Var( initialize=5e-5, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for ammonium, [kg N/m^3]", ) self.KH_PO4 = pyo.Var( initialize=1e-5, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for SPO4 as nutrient, [kg P/m^3]", ) self.KA_PO4 = pyo.Var( initialize=1e-5, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for SPO4, [kg P/m^3]", ) self.KP_PO4 = pyo.Var( initialize=1e-5, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for phosphate for growth, [kg P/m^3]", ) self.q_PHA = pyo.Var( initialize=2.46, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate constant for storage of X_PHA (base Xpp), [kg PHA/kg PAO/day]", ) self.q_PP = pyo.Var( initialize=1.23, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate constant for storage of X_PP, [kg PP/kg PAO/day]", ) self.mu_PAO = pyo.Var( initialize=0.82, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Maximum growth rate of PAO", ) self.b_PAO = pyo.Var( initialize=0.14, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate for Lysis of X_PAO", ) self.b_PP = pyo.Var( initialize=0.14, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate for Lysis of X_PP", ) self.b_PHA = pyo.Var( initialize=0.14, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Rate for Lysis of X_PHA", ) self.KP_P = pyo.Var( initialize=2e-4, units=pyo.units.kg / pyo.units.m**3, domain=pyo.NonNegativeReals, doc="Saturation coefficient for phosphate for XPP formation, [kg P/m^3]", ) self.KP_PP = pyo.Var( initialize=0.01, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Saturation coefficient for poly-phosphate, [kg PP/kg PAO]", ) self.K_MAX = pyo.Var( initialize=0.34, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Maximum ratio of X_PP/X_PAO, [kg PP/kg PAO]", ) self.KI_PP = pyo.Var( initialize=0.02, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Inhibition coefficient for PP storage, [kg PP/kg PAO]", ) self.KP_PHA = pyo.Var( initialize=0.01, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Saturation coefficient for PHA, [kg PHA/kg PAO]", ) self.mu_AUT = pyo.Var( initialize=0.61, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Maximum growth rate of X_AUT", ) self.b_AUT = pyo.Var( initialize=0.09, units=1 / pyo.units.day, domain=pyo.NonNegativeReals, doc="Decay rate of X_AUT", ) self.hH_NO3 = pyo.Var( initialize=0.8, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Reduction factor for denitrification", ) self.hH_NO3_end = pyo.Var( initialize=0.5, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic reduction factor for endogenous respiration", ) self.hP_NO3 = pyo.Var( initialize=0.6, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Reduction factor under anoxic conditions", ) self.hP_NO3_end = pyo.Var( initialize=0.33, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic reduction factor for decay of PAOs", ) self.hPP_NO3_end = pyo.Var( initialize=0.33, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic reduction factor for decay of PP", ) self.hPHA_NO3_end = pyo.Var( initialize=0.33, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic reduction factor for decay of PHA", ) self.hAUT_NO3_end = pyo.Var( initialize=0.33, units=pyo.units.dimensionless, domain=pyo.NonNegativeReals, doc="Anoxic reduction factor for decay of autotrophs", ) # Reaction Stoichiometry # This is the stoichiometric part the Peterson matrix in dict form # Note that reaction stoichiometry is on a mass basis. self.rate_reaction_stoichiometry = { # R1: Aerobic hydrolysis ("R1", "Liq", "H2O"): 0, ("R1", "Liq", "S_O2"): 0, ("R1", "Liq", "S_F"): 1 - self.f_SI, ("R1", "Liq", "S_A"): 0, ("R1", "Liq", "S_I"): self.f_SI, ("R1", "Liq", "S_NH4"): -( (1 - self.f_SI) * self.i_NSF + self.f_SI * self.i_NSI - self.i_NXS ), ("R1", "Liq", "S_N2"): 0, ("R1", "Liq", "S_NO3"): 0, ("R1", "Liq", "S_PO4"): -((1 - self.f_SI) * self.i_PSF - self.i_PXS), ("R1", "Liq", "S_IC"): -( (1 - self.f_SI) * self.i_CSF + self.f_SI * self.i_CSI - self.i_CXS ), ("R1", "Liq", "X_I"): 0, ("R1", "Liq", "X_S"): -1, ("R1", "Liq", "X_H"): 0, ("R1", "Liq", "X_PAO"): 0, ("R1", "Liq", "X_PP"): 0, ("R1", "Liq", "X_PHA"): 0, ("R1", "Liq", "X_AUT"): 0, ("R1", "Liq", "S_K"): 0, ("R1", "Liq", "S_Mg"): 0, # R2: Anoxic hydrolysis ("R2", "Liq", "H2O"): 0, ("R2", "Liq", "S_O2"): 0, ("R2", "Liq", "S_F"): 1 - self.f_SI, ("R2", "Liq", "S_A"): 0, ("R2", "Liq", "S_I"): self.f_SI, ("R2", "Liq", "S_NH4"): -( (1 - self.f_SI) * self.i_NSF + self.f_SI * self.i_NSI - self.i_NXS ), ("R2", "Liq", "S_N2"): 0, ("R2", "Liq", "S_NO3"): 0, ("R2", "Liq", "S_PO4"): -((1 - self.f_SI) * self.i_PSF - self.i_PXS), ("R2", "Liq", "S_IC"): -( (1 - self.f_SI) * self.i_CSF + self.f_SI * self.i_CSI - self.i_CXS ), ("R2", "Liq", "X_I"): 0, ("R2", "Liq", "X_S"): -1, ("R2", "Liq", "X_H"): 0, ("R2", "Liq", "X_PAO"): 0, ("R2", "Liq", "X_PP"): 0, ("R2", "Liq", "X_PHA"): 0, ("R2", "Liq", "X_AUT"): 0, ("R2", "Liq", "S_K"): 0, ("R2", "Liq", "S_Mg"): 0, # R3: Anaerobic hydrolysis ("R3", "Liq", "H2O"): 0, ("R3", "Liq", "S_O2"): 0, ("R3", "Liq", "S_F"): 1 - self.f_SI, ("R3", "Liq", "S_A"): 0, ("R3", "Liq", "S_I"): self.f_SI, ("R3", "Liq", "S_NH4"): -( (1 - self.f_SI) * self.i_NSF + self.f_SI * self.i_NSI - self.i_NXS ), ("R3", "Liq", "S_N2"): 0, ("R3", "Liq", "S_NO3"): 0, ("R3", "Liq", "S_PO4"): -((1 - self.f_SI) * self.i_PSF - self.i_PXS), ("R3", "Liq", "S_IC"): -( (1 - self.f_SI) * self.i_CSF + self.f_SI * self.i_CSI - self.i_CXS ), ("R3", "Liq", "X_I"): 0, ("R3", "Liq", "X_S"): -1, ("R3", "Liq", "X_H"): 0, ("R3", "Liq", "X_PAO"): 0, ("R3", "Liq", "X_PP"): 0, ("R3", "Liq", "X_PHA"): 0, ("R3", "Liq", "X_AUT"): 0, ("R3", "Liq", "S_K"): 0, ("R3", "Liq", "S_Mg"): 0, # R4: Aerobic growth on S_F ("R4", "Liq", "H2O"): 0, ("R4", "Liq", "S_O2"): 1 - 1 / self.Y_H, ("R4", "Liq", "S_F"): -1 / self.Y_H, ("R4", "Liq", "S_A"): 0, ("R4", "Liq", "S_I"): 0, ("R4", "Liq", "S_NH4"): -(self.i_NBM - self.i_NSF / self.Y_H), ("R4", "Liq", "S_N2"): 0, ("R4", "Liq", "S_NO3"): 0, ("R4", "Liq", "S_PO4"): -(self.i_PBM - self.i_PSF / self.Y_H), ("R4", "Liq", "S_IC"): -(self.i_CXB - self.i_CSF / self.Y_H), ("R4", "Liq", "X_I"): 0, ("R4", "Liq", "X_S"): 0, ("R4", "Liq", "X_H"): 1, ("R4", "Liq", "X_PAO"): 0, ("R4", "Liq", "X_PP"): 0, ("R4", "Liq", "X_PHA"): 0, ("R4", "Liq", "X_AUT"): 0, ("R4", "Liq", "S_K"): 0, ("R4", "Liq", "S_Mg"): 0, # R5: Aerobic growth on S_A ("R5", "Liq", "H2O"): 0, ("R5", "Liq", "S_O2"): 1 - 1 / self.Y_H, ("R5", "Liq", "S_F"): 0, ("R5", "Liq", "S_A"): -1 / self.Y_H, ("R5", "Liq", "S_I"): 0, ("R5", "Liq", "S_NH4"): -self.i_NBM, ("R5", "Liq", "S_N2"): 0, ("R5", "Liq", "S_NO3"): 0, ("R5", "Liq", "S_PO4"): -self.i_PBM, ("R5", "Liq", "S_IC"): -(self.i_CXB - self.i_CSA / self.Y_H), ("R5", "Liq", "X_I"): 0, ("R5", "Liq", "X_S"): 0, ("R5", "Liq", "X_H"): 1, ("R5", "Liq", "X_PAO"): 0, ("R5", "Liq", "X_PP"): 0, ("R5", "Liq", "X_PHA"): 0, ("R5", "Liq", "X_AUT"): 0, ("R5", "Liq", "S_K"): 0, ("R5", "Liq", "S_Mg"): 0, # R6: Anoxic growth on S_F ("R6", "Liq", "H2O"): 0, ("R6", "Liq", "S_O2"): 0, ("R6", "Liq", "S_F"): -1 / self.Y_H, ("R6", "Liq", "S_A"): 0, ("R6", "Liq", "S_I"): 0, ("R6", "Liq", "S_NH4"): -(self.i_NBM - self.i_NSF / self.Y_H), ("R6", "Liq", "S_N2"): (1 - self.Y_H) / (2.86 * self.Y_H), ("R6", "Liq", "S_NO3"): -(1 - self.Y_H) / (2.86 * self.Y_H), ("R6", "Liq", "S_PO4"): -(self.i_PBM - self.i_PSF / self.Y_H), ("R6", "Liq", "S_IC"): -(self.i_CXB - self.i_CSF / self.Y_H), ("R6", "Liq", "X_I"): 0, ("R6", "Liq", "X_S"): 0, ("R6", "Liq", "X_H"): 1, ("R6", "Liq", "X_PAO"): 0, ("R6", "Liq", "X_PP"): 0, ("R6", "Liq", "X_PHA"): 0, ("R6", "Liq", "X_AUT"): 0, ("R6", "Liq", "S_K"): 0, ("R6", "Liq", "S_Mg"): 0, # R7: Anoxic growth on S_A, denitrification ("R7", "Liq", "H2O"): 0, ("R7", "Liq", "S_O2"): 0, ("R7", "Liq", "S_F"): 0, ("R7", "Liq", "S_A"): -1 / self.Y_H, ("R7", "Liq", "S_I"): 0, ("R7", "Liq", "S_NH4"): -self.i_NBM, ("R7", "Liq", "S_N2"): (1 - self.Y_H) / (2.86 * self.Y_H), ("R7", "Liq", "S_NO3"): -(1 - self.Y_H) / (2.86 * self.Y_H), ("R7", "Liq", "S_PO4"): -self.i_PBM, ("R7", "Liq", "S_IC"): -(self.i_CXB - self.i_CSA / self.Y_H), ("R7", "Liq", "X_I"): 0, ("R7", "Liq", "X_S"): 0, ("R7", "Liq", "X_H"): 1, ("R7", "Liq", "X_PAO"): 0, ("R7", "Liq", "X_PP"): 0, ("R7", "Liq", "X_PHA"): 0, ("R7", "Liq", "X_AUT"): 0, ("R7", "Liq", "S_K"): 0, ("R7", "Liq", "S_Mg"): 0, # R8: Fermentation ("R8", "Liq", "H2O"): 0, ("R8", "Liq", "S_O2"): 0, ("R8", "Liq", "S_F"): -1, ("R8", "Liq", "S_A"): 1, ("R8", "Liq", "S_I"): 0, ("R8", "Liq", "S_NH4"): -self.i_NSF, ("R8", "Liq", "S_N2"): 0, ("R8", "Liq", "S_NO3"): 0, ("R8", "Liq", "S_PO4"): -(-self.i_PSF), ("R8", "Liq", "S_IC"): -(self.i_CSA - self.i_CSF), ("R8", "Liq", "X_I"): 0, ("R8", "Liq", "X_S"): 0, ("R8", "Liq", "X_H"): 0, ("R8", "Liq", "X_PAO"): 0, ("R8", "Liq", "X_PP"): 0, ("R8", "Liq", "X_PHA"): 0, ("R8", "Liq", "X_AUT"): 0, ("R8", "Liq", "S_K"): 0, ("R8", "Liq", "S_Mg"): 0, # R9: Lysis ("R9", "Liq", "H2O"): 0, ("R9", "Liq", "S_O2"): 0, ("R9", "Liq", "S_F"): 0, ("R9", "Liq", "S_A"): 0, ("R9", "Liq", "S_I"): 0, ("R9", "Liq", "S_NH4"): self.i_NBM - self.f_XI * self.i_NXI - (1 - self.f_XI) * self.i_NXS, ("R9", "Liq", "S_N2"): 0, ("R9", "Liq", "S_NO3"): 0, ("R9", "Liq", "S_PO4"): -( self.f_XI * self.i_PXI + (1 - self.f_XI) * self.i_PXS - self.i_PBM ), ("R9", "Liq", "S_IC"): -( self.f_XI * self.i_CXI + (1 - self.f_XI) * self.i_CXS - self.i_CXB ), ("R9", "Liq", "X_I"): self.f_XI, ("R9", "Liq", "X_S"): 1 - self.f_XI, ("R9", "Liq", "X_H"): -1, ("R9", "Liq", "X_PAO"): 0, ("R9", "Liq", "X_PP"): 0, ("R9", "Liq", "X_PHA"): 0, ("R9", "Liq", "X_AUT"): 0, ("R9", "Liq", "S_K"): 0, ("R9", "Liq", "S_Mg"): 0, # R10: Storage of X_PHA ("R10", "Liq", "H2O"): 0, ("R10", "Liq", "S_O2"): 0, ("R10", "Liq", "S_F"): 0, ("R10", "Liq", "S_A"): -1, ("R10", "Liq", "S_I"): 0, ("R10", "Liq", "S_NH4"): 0, ("R10", "Liq", "S_N2"): 0, ("R10", "Liq", "S_NO3"): 0, ("R10", "Liq", "S_PO4"): -(-self.Y_PO4), ("R10", "Liq", "S_IC"): -(0.3 - self.i_CSA), ("R10", "Liq", "X_I"): 0, ("R10", "Liq", "X_S"): 0, ("R10", "Liq", "X_H"): 0, ("R10", "Liq", "X_PAO"): 0, ("R10", "Liq", "X_PP"): -self.Y_PO4, ("R10", "Liq", "X_PHA"): 1, ("R10", "Liq", "X_AUT"): 0, ("R10", "Liq", "S_K"): self.Y_PO4 * self.i_KXPP, ("R10", "Liq", "S_Mg"): self.Y_PO4 * self.i_MgXPP, # R11: Aerobic storage of X_PP ("R11", "Liq", "H2O"): 0, ("R11", "Liq", "S_O2"): -self.Y_PHA, ("R11", "Liq", "S_F"): 0, ("R11", "Liq", "S_A"): 0, ("R11", "Liq", "S_I"): 0, ("R11", "Liq", "S_NH4"): 0, ("R11", "Liq", "S_N2"): 0, ("R11", "Liq", "S_NO3"): 0, ("R11", "Liq", "S_PO4"): -1, ("R11", "Liq", "S_IC"): -(-self.Y_PHA * 0.3), ("R11", "Liq", "X_I"): 0, ("R11", "Liq", "X_S"): 0, ("R11", "Liq", "X_H"): 0, ("R11", "Liq", "X_PAO"): 0, ("R11", "Liq", "X_PP"): 1, ("R11", "Liq", "X_PHA"): -self.Y_PHA, ("R11", "Liq", "X_AUT"): 0, ("R11", "Liq", "S_K"): -self.i_KXPP, ("R11", "Liq", "S_Mg"): -self.i_MgXPP, # R12: Anoxic storage of X_PP ("R12", "Liq", "H2O"): 0, ("R12", "Liq", "S_O2"): 0, ("R12", "Liq", "S_F"): 0, ("R12", "Liq", "S_A"): 0, ("R12", "Liq", "S_I"): 0, ("R12", "Liq", "S_NH4"): 0, ("R12", "Liq", "S_N2"): self.Y_PHA / 2.86, ("R12", "Liq", "S_NO3"): -0.07, ("R12", "Liq", "S_PO4"): -1, ("R12", "Liq", "S_IC"): -(-self.Y_PHA * 0.3), ("R12", "Liq", "X_I"): 0, ("R12", "Liq", "X_S"): 0, ("R12", "Liq", "X_H"): 0, ("R12", "Liq", "X_PAO"): 0, ("R12", "Liq", "X_PP"): 1, ("R12", "Liq", "X_PHA"): -self.Y_PHA, ("R12", "Liq", "X_AUT"): 0, ("R12", "Liq", "S_K"): -self.i_KXPP, ("R12", "Liq", "S_Mg"): -self.i_MgXPP, # R13: Aerobic growth of X_PAO ("R13", "Liq", "H2O"): 0, ("R13", "Liq", "S_O2"): -(1 - self.Y_PAO) / self.Y_PAO, ("R13", "Liq", "S_F"): 0, ("R13", "Liq", "S_A"): 0, ("R13", "Liq", "S_I"): 0, ("R13", "Liq", "S_NH4"): -self.i_NBM, ("R13", "Liq", "S_N2"): 0, ("R13", "Liq", "S_NO3"): 0, ("R13", "Liq", "S_PO4"): -self.i_PBM, ("R13", "Liq", "S_IC"): -(self.i_CXB - 0.3 / self.Y_PAO), ("R13", "Liq", "X_I"): 0, ("R13", "Liq", "X_S"): 0, ("R13", "Liq", "X_H"): 0, ("R13", "Liq", "X_PAO"): 1, ("R13", "Liq", "X_PP"): 0, ("R13", "Liq", "X_PHA"): -1 / self.Y_PAO, ("R13", "Liq", "X_AUT"): 0, ("R13", "Liq", "S_K"): 0, ("R13", "Liq", "S_Mg"): 0, # R14: Anoxic growth of X_PAO ("R14", "Liq", "H2O"): 0, ("R14", "Liq", "S_O2"): 0, ("R14", "Liq", "S_F"): 0, ("R14", "Liq", "S_A"): 0, ("R14", "Liq", "S_I"): 0, ("R14", "Liq", "S_NH4"): -self.i_NBM, ("R14", "Liq", "S_N2"): (1 - self.Y_H) / (2.86 * self.Y_H), ("R14", "Liq", "S_NO3"): -(1 - self.Y_H) / (2.86 * self.Y_H), ("R14", "Liq", "S_PO4"): -self.i_PBM, ("R14", "Liq", "S_IC"): -(self.i_CXB - 0.3 / self.Y_PAO), ("R14", "Liq", "X_I"): 0, ("R14", "Liq", "X_S"): 0, ("R14", "Liq", "X_H"): 0, ("R14", "Liq", "X_PAO"): 1, ("R14", "Liq", "X_PP"): 0, ("R14", "Liq", "X_PHA"): -1 / self.Y_PAO, ("R14", "Liq", "X_AUT"): 0, ("R14", "Liq", "S_K"): 0, ("R14", "Liq", "S_Mg"): 0, # R15: Lysis of X_PAO ("R15", "Liq", "H2O"): 0, ("R15", "Liq", "S_O2"): 0, ("R15", "Liq", "S_F"): 0, ("R15", "Liq", "S_A"): 0, ("R15", "Liq", "S_I"): 0, ("R15", "Liq", "S_NH4"): self.i_NBM - self.f_XI * self.i_NXI - (1 - self.f_XI) * self.i_NXS, ("R15", "Liq", "S_N2"): 0, ("R15", "Liq", "S_NO3"): 0, ("R15", "Liq", "S_PO4"): -( self.f_XI * self.i_PXI + (1 - self.f_XI) * self.i_PXS - self.i_PBM ), ("R15", "Liq", "S_IC"): -( self.f_XI * self.i_CXI + (1 - self.f_XI) * self.i_CXS - self.i_CXB ), ("R15", "Liq", "X_I"): self.f_XI, ("R15", "Liq", "X_S"): 1 - self.f_XI, ("R15", "Liq", "X_H"): 0, ("R15", "Liq", "X_PAO"): -1, ("R15", "Liq", "X_PP"): 0, ("R15", "Liq", "X_PHA"): 0, ("R15", "Liq", "X_AUT"): 0, ("R15", "Liq", "S_K"): 0, ("R15", "Liq", "S_Mg"): 0, # R16: Lysis of X_PP ("R16", "Liq", "H2O"): 0, ("R16", "Liq", "S_O2"): 0, ("R16", "Liq", "S_F"): 0, ("R16", "Liq", "S_A"): 0, ("R16", "Liq", "S_I"): 0, ("R16", "Liq", "S_NH4"): 0, ("R16", "Liq", "S_N2"): 0, ("R16", "Liq", "S_NO3"): 0, ("R16", "Liq", "S_PO4"): 1, ("R16", "Liq", "S_IC"): 0, ("R16", "Liq", "X_I"): 0, ("R16", "Liq", "X_S"): 0, ("R16", "Liq", "X_H"): 0, ("R16", "Liq", "X_PAO"): 0, ("R16", "Liq", "X_PP"): -1, ("R16", "Liq", "X_PHA"): 0, ("R16", "Liq", "X_AUT"): 0, ("R16", "Liq", "S_K"): self.i_KXPP, ("R16", "Liq", "S_Mg"): self.i_MgXPP, # R17: Lysis of X_PHA ("R17", "Liq", "H2O"): 0, ("R17", "Liq", "S_O2"): 0, ("R17", "Liq", "S_F"): 0, ("R17", "Liq", "S_A"): 1, ("R17", "Liq", "S_I"): 0, ("R17", "Liq", "S_NH4"): 0, ("R17", "Liq", "S_N2"): 0, ("R17", "Liq", "S_NO3"): 0, ("R17", "Liq", "S_PO4"): 0, ("R17", "Liq", "S_IC"): -(self.i_CSA - 0.3), ("R17", "Liq", "X_I"): 0, ("R17", "Liq", "X_S"): 0, ("R17", "Liq", "X_H"): 0, ("R17", "Liq", "X_PAO"): 0, ("R17", "Liq", "X_PP"): 0, ("R17", "Liq", "X_PHA"): -1, ("R17", "Liq", "X_AUT"): 0, ("R17", "Liq", "S_K"): 0, ("R17", "Liq", "S_Mg"): 0, # R18: Aerobic growth of X_AUT ("R18", "Liq", "H2O"): 0, ("R18", "Liq", "S_O2"): -(4.5714 - self.Y_A) / self.Y_A, ("R18", "Liq", "S_F"): 0, ("R18", "Liq", "S_A"): 0, ("R18", "Liq", "S_I"): 0, ("R18", "Liq", "S_NH4"): -1 / self.Y_A - self.i_NBM, ("R18", "Liq", "S_N2"): 0, ("R18", "Liq", "S_NO3"): 1 / self.Y_A, ("R18", "Liq", "S_PO4"): -self.i_PBM, ("R18", "Liq", "S_IC"): -self.i_CXB, ("R18", "Liq", "X_I"): 0, ("R18", "Liq", "X_S"): 0, ("R18", "Liq", "X_H"): 0, ("R18", "Liq", "X_PAO"): 0, ("R18", "Liq", "X_PP"): 0, ("R18", "Liq", "X_PHA"): 0, ("R18", "Liq", "X_AUT"): 1, ("R18", "Liq", "S_K"): 0, ("R18", "Liq", "S_Mg"): 0, # R19: Lysis of X_AUT ("R19", "Liq", "H2O"): 0, ("R19", "Liq", "S_O2"): 0, ("R19", "Liq", "S_F"): 0, ("R19", "Liq", "S_A"): 0, ("R19", "Liq", "S_I"): 0, ("R19", "Liq", "S_NH4"): self.i_NBM - self.f_XI * self.i_NXI - (1 - self.f_XI) * self.i_NXS, ("R19", "Liq", "S_N2"): 0, ("R19", "Liq", "S_NO3"): 0, ("R19", "Liq", "S_PO4"): -( self.f_XI * self.i_PXI + (1 - self.f_XI) * self.i_PXS - self.i_PBM ), ("R19", "Liq", "S_IC"): -( self.f_XI * self.i_CXI + (1 - self.f_XI) * self.i_CXS - self.i_CXB ), ("R19", "Liq", "X_I"): self.f_XI, ("R19", "Liq", "X_S"): 1 - self.f_XI, ("R19", "Liq", "X_H"): 0, ("R19", "Liq", "X_PAO"): 0, ("R19", "Liq", "X_PP"): 0, ("R19", "Liq", "X_PHA"): 0, ("R19", "Liq", "X_AUT"): -1, ("R19", "Liq", "S_K"): 0, ("R19", "Liq", "S_Mg"): 0, } # Fix all the variables we just created for v in self.component_objects(pyo.Var, descend_into=False): v.fix()
[docs] @classmethod def define_metadata(cls, obj): obj.add_properties( { "reaction_rate": {"method": "_rxn_rate"}, } ) obj.add_default_units( { "time": pyo.units.s, "length": pyo.units.m, "mass": pyo.units.kg, "amount": pyo.units.kmol, "temperature": pyo.units.K, } )
[docs]class _ModifiedASM2dReactionBlock(ReactionBlockBase): """ This Class contains methods which should be applied to Reaction Blocks as a whole, rather than individual elements of indexed Reaction Blocks. """
[docs] def initialize(self, outlvl=idaeslog.NOTSET, **kwargs): """ Initialization routine for reaction package. Keyword Arguments: outlvl : sets output level of initialization routine Returns: None """ init_log = idaeslog.getInitLogger(self.name, outlvl, tag="properties") init_log.info("Initialization Complete.")
[docs]@declare_process_block_class( "ModifiedASM2dReactionBlock", block_class=_ModifiedASM2dReactionBlock ) class ModifiedASM2dReactionBlockData(ReactionBlockDataBase): """ Reaction Block for ASM2d. """
[docs] def build(self): """ Callable method for Block construction """ super().build() # Create references to state vars # Concentration add_object_reference(self, "conc_mass_comp_ref", self.state_ref.conc_mass_comp)
# Rate of reaction method def _rxn_rate(self): self.reaction_rate = pyo.Var( self.params.rate_reaction_idx, initialize=0, doc="Rate of reaction", units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) try: # TODO: Refer to Flores-Alsina c code to account for sulfur in rate expressions def rate_expression_rule(b, r): if r == "R1": # R1: Aerobic hydrolysis return b.reaction_rate[r] == pyo.units.convert( b.params.K_H * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KL_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["X_S"] / ( b.params.KL_X * b.conc_mass_comp_ref["X_H"] + b.conc_mass_comp_ref["X_S"] ) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R2": # R2: Anoxic hydrolysis return b.reaction_rate[r] == pyo.units.convert( b.params.K_H * b.params.hL_NO3 * ( b.params.KL_O2 / (b.params.KL_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_NO3"] / (b.params.KL_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["X_S"] / ( b.params.KL_X * b.conc_mass_comp_ref["X_H"] + b.conc_mass_comp_ref["X_S"] ) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R3": # R3: Anaerobic hydrolysis return b.reaction_rate[r] == pyo.units.convert( b.params.K_H * b.params.hL_fe * ( b.params.KL_O2 / (b.params.KL_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.params.KL_NO3 / (b.params.KL_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["X_S"] / ( b.params.KL_X * b.conc_mass_comp_ref["X_H"] + b.conc_mass_comp_ref["X_S"] ) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R4": # R4: Aerobic growth on S_F return b.reaction_rate[r] == pyo.units.convert( b.params.mu_H * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_F"] / (b.params.K_F + b.conc_mass_comp_ref["S_F"]) ) * ( b.conc_mass_comp_ref["S_F"] / ( b.conc_mass_comp_ref["S_F"] + b.conc_mass_comp_ref["S_A"] + 1e-10 * pyo.units.kg / pyo.units.m**3 ) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KH_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KH_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R5": # R5: Aerobic growth on S_A return b.reaction_rate[r] == pyo.units.convert( b.params.mu_H * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_A"] / (b.params.KH_A + b.conc_mass_comp_ref["S_A"]) ) * ( b.conc_mass_comp_ref["S_A"] / ( b.conc_mass_comp_ref["S_F"] + b.conc_mass_comp_ref["S_A"] + 1e-10 * pyo.units.kg / pyo.units.m**3 ) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KH_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KH_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R6": # R6: Anoxic growth on S_F return b.reaction_rate[r] == pyo.units.convert( b.params.mu_H * b.params.hH_NO3 * ( b.params.KH_O2 / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_F"] / (b.params.K_F + b.conc_mass_comp_ref["S_F"]) ) * ( b.conc_mass_comp_ref["S_F"] / ( b.conc_mass_comp_ref["S_F"] + b.conc_mass_comp_ref["S_A"] + 1e-10 * pyo.units.kg / pyo.units.m**3 ) ) * ( b.conc_mass_comp_ref["S_NO3"] / (b.params.KH_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KH_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KH_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R7": # R7: Anoxic growth on S_A, denitrification return b.reaction_rate[r] == pyo.units.convert( b.params.mu_H * b.params.hH_NO3 * ( b.params.KH_O2 / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_A"] / (b.params.KH_A + b.conc_mass_comp_ref["S_A"]) ) * ( b.conc_mass_comp_ref["S_A"] / ( b.conc_mass_comp_ref["S_F"] + b.conc_mass_comp_ref["S_A"] + 1e-10 * pyo.units.kg / pyo.units.m**3 ) ) * ( b.conc_mass_comp_ref["S_NO3"] / (b.params.KH_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KH_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KH_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R8": # R8: Fermentation return b.reaction_rate[r] == pyo.units.convert( b.params.q_fe * ( b.params.KH_O2 / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.params.KH_NO3 / (b.params.KH_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["S_F"] / (b.params.K_fe + b.conc_mass_comp_ref["S_F"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R9": # R9: Lysis if self.params.config.decay_switch == DecaySwitch.on: return b.reaction_rate[r] == pyo.units.convert( b.params.b_H * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) + b.params.hH_NO3_end * b.params.KH_O2 / (b.params.KH_O2 + b.conc_mass_comp_ref["S_O2"]) * b.conc_mass_comp_ref["S_NO3"] / (b.params.KH_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif self.params.config.decay_switch == DecaySwitch.off: return b.reaction_rate[r] == pyo.units.convert( b.params.b_H * b.conc_mass_comp_ref["X_H"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R10": # R10: Storage of X_PHA return b.reaction_rate[r] == pyo.units.convert( b.params.q_PHA * ( b.conc_mass_comp_ref["S_A"] / (b.params.KP_A + b.conc_mass_comp_ref["S_A"]) ) * ( b.conc_mass_comp_ref["X_PP"] / ( b.params.KP_PP * b.conc_mass_comp_ref["X_PAO"] + b.conc_mass_comp_ref["X_PP"] ) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R11": # R11: Aerobic storage of X_PP return b.reaction_rate[r] == pyo.units.convert( b.params.q_PP * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KP_P + b.conc_mass_comp_ref["S_PO4"]) ) * ( b.conc_mass_comp_ref["X_PHA"] / ( b.params.KP_PHA * b.conc_mass_comp_ref["X_PAO"] + b.conc_mass_comp_ref["X_PHA"] ) ) * ( ( b.params.K_MAX * b.conc_mass_comp_ref["X_PAO"] - b.conc_mass_comp_ref["X_PP"] ) / ( b.params.KI_PP * b.conc_mass_comp_ref["X_PAO"] + b.params.K_MAX * b.conc_mass_comp_ref["X_PAO"] - b.conc_mass_comp_ref["X_PP"] ) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R12": # R12: Anoxic storage of X_PP return b.reaction_rate[r] == pyo.units.convert( b.params.q_PP * b.params.hP_NO3 * ( b.params.KP_O2 / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_NO3"] / (b.params.KP_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KP_P + b.conc_mass_comp_ref["S_PO4"]) ) * ( b.conc_mass_comp_ref["X_PHA"] / ( b.params.KP_PHA * b.conc_mass_comp_ref["X_PAO"] + b.conc_mass_comp_ref["X_PHA"] ) ) * ( ( b.params.K_MAX * b.conc_mass_comp_ref["X_PAO"] - b.conc_mass_comp_ref["X_PP"] ) / ( b.params.KI_PP * b.conc_mass_comp_ref["X_PAO"] + b.params.K_MAX * b.conc_mass_comp_ref["X_PAO"] - b.conc_mass_comp_ref["X_PP"] ) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R13": # R13: Aerobic growth of X_PAO return b.reaction_rate[r] == pyo.units.convert( b.params.mu_PAO * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KP_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KP_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * ( b.conc_mass_comp_ref["X_PHA"] / ( b.params.KP_PHA * b.conc_mass_comp_ref["X_PAO"] + b.conc_mass_comp_ref["X_PHA"] ) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R14": # R14: Anoxic growth of X_PAO return b.reaction_rate[r] == pyo.units.convert( b.params.mu_PAO * b.params.hP_NO3 * ( b.params.KP_O2 / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_NO3"] / (b.params.KP_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KP_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KP_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * ( b.conc_mass_comp_ref["X_PHA"] / ( b.params.KP_PHA * b.conc_mass_comp_ref["X_PAO"] + b.conc_mass_comp_ref["X_PHA"] ) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R15": # R15: Lysis of X_PAO if self.params.config.decay_switch == DecaySwitch.on: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PAO * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) + b.params.hP_NO3_end * b.params.KP_O2 / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) * b.conc_mass_comp_ref["S_NO3"] / (b.params.KP_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif self.params.config.decay_switch == DecaySwitch.off: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PAO * b.conc_mass_comp_ref["X_PAO"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R16": # R16: Lysis of X_PP if self.params.config.decay_switch == DecaySwitch.on: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PP * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) + b.params.hPP_NO3_end * b.params.KP_O2 / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) * b.conc_mass_comp_ref["S_NO3"] / (b.params.KP_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * b.conc_mass_comp_ref["X_PP"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif self.params.config.decay_switch == DecaySwitch.off: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PP * b.conc_mass_comp_ref["X_PP"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R17": # R17: Lysis of X_PHA if self.params.config.decay_switch == DecaySwitch.on: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PHA * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) + b.params.hPHA_NO3_end * b.params.KP_O2 / (b.params.KP_O2 + b.conc_mass_comp_ref["S_O2"]) * b.conc_mass_comp_ref["S_NO3"] / (b.params.KP_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * b.conc_mass_comp_ref["X_PHA"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif self.params.config.decay_switch == DecaySwitch.off: return b.reaction_rate[r] == pyo.units.convert( b.params.b_PHA * b.conc_mass_comp_ref["X_PHA"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R18": # R18: Lysis of X_AUT return b.reaction_rate[r] == pyo.units.convert( b.params.mu_AUT * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KA_O2 + b.conc_mass_comp_ref["S_O2"]) ) * ( b.conc_mass_comp_ref["S_NH4"] / (b.params.KA_NH4 + b.conc_mass_comp_ref["S_NH4"]) ) * ( b.conc_mass_comp_ref["S_PO4"] / (b.params.KA_PO4 + b.conc_mass_comp_ref["S_PO4"]) ) * b.conc_mass_comp_ref["X_AUT"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif r == "R19": # R19: Aerobic growth of X_AUT if self.params.config.decay_switch == DecaySwitch.on: return b.reaction_rate[r] == pyo.units.convert( b.params.b_AUT * ( b.conc_mass_comp_ref["S_O2"] / (b.params.KA_O2 + b.conc_mass_comp_ref["S_O2"]) + b.params.hAUT_NO3_end * b.params.KA_O2 / (b.params.KA_O2 + b.conc_mass_comp_ref["S_O2"]) * b.conc_mass_comp_ref["S_NO3"] / (b.params.KA_NO3 + b.conc_mass_comp_ref["S_NO3"]) ) * b.conc_mass_comp_ref["X_AUT"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) elif self.params.config.decay_switch == DecaySwitch.off: return b.reaction_rate[r] == pyo.units.convert( b.params.b_AUT * b.conc_mass_comp_ref["X_AUT"], to_units=pyo.units.kg / pyo.units.m**3 / pyo.units.s, ) else: raise BurntToast() self.rate_expression = pyo.Constraint( self.params.rate_reaction_idx, rule=rate_expression_rule, doc="ASM2d rate expressions", ) except AttributeError: # If constraint fails, clean up so that DAE can try again later self.del_component(self.reaction_rate) self.del_component(self.rate_expression) raise
[docs] def get_reaction_rate_basis(self): return MaterialFlowBasis.mass
def calculate_scaling_factors(self): super().calculate_scaling_factors() for i, c in self.rate_expression.items(): # TODO: Need to work out how to calculate good scaling factors # instead of a fixed 1e3. iscale.constraint_scaling_transform(c, 1e3, overwrite=True)