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Add influent/effluent quality metrics for ASM1 #1243

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merged 8 commits into from
Dec 12, 2023
Merged

Add influent/effluent quality metrics for ASM1 #1243

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913ab74
add TSS, COD, BOD5 to asm1
adam-a-a Dec 7, 2023
101166c
add TSS, COD, BOD5, TKN, total N to ASM1 with some tests
adam-a-a Dec 8, 2023
51e92e8
Merge branch 'main' into add_aggs_asm1
adam-a-a Dec 8, 2023
b86c80f
settle params for TSS and BOD5
adam-a-a Dec 8, 2023
ffcae11
black
adam-a-a Dec 8, 2023
ae42b62
fix tests
adam-a-a Dec 8, 2023
b615123
delete import
adam-a-a Dec 8, 2023
be362f0
Merge branch 'main' into add_aggs_asm1
adam-a-a Dec 12, 2023
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87 changes: 87 additions & 0 deletions watertap/property_models/activated_sludge/asm1_properties.py
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Original file line number Diff line number Diff line change
Expand Up @@ -125,6 +125,40 @@ def build(self):
doc="Reference temperature",
units=pyo.units.K,
)
self.f_p = pyo.Var(
initialize=0.08,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Fraction of biomass yielding particulate products, f_p",
)
self.i_xb = pyo.Var(
initialize=0.08,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Mass fraction of N per COD in biomass, i_xb",
)
self.i_xp = pyo.Var(
initialize=0.06,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Mass fraction of N per COD in particulates, i_xp",
)
self.COD_to_SS = pyo.Var(
initialize=0.75,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Conversion factor applied for TSS calculation",
)
self.BOD5_factor = pyo.Var(
["raw", "effluent"],
initialize={"raw": 0.65, "effluent": 0.25},
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Conversion factor for BOD5",
)
# Fix Vars that are treated as Params
for v in self.component_objects(pyo.Var):
v.fix()

@classmethod
def define_metadata(cls, obj):
Expand All @@ -139,6 +173,11 @@ def define_metadata(cls, obj):
obj.define_custom_properties(
{
"alkalinity": {"method": None},
"TSS": {"method": "_TSS"},
"BOD5": {"method": "_BOD5"},
"TKN": {"method": "_TKN"},
"Total_N": {"method": "_Total_N"},
"COD": {"method": "_COD"},
}
)
obj.add_default_units(
Expand Down Expand Up @@ -356,6 +395,54 @@ def energy_density_expression(self):
rule=energy_density_expression, doc="Energy density term"
)

def _TSS(self):
tss = self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_I"] + self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"] + self.conc_mass_comp["X_P"]
return self.params.COD_to_SS * tss

self.TSS = pyo.Expression(
rule=_TSS,
doc="Total suspended solids (TSS)",
)

def _BOD5(self, i):
bod5 = self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_S"] + (1-self.params.f_p)*(self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"])
#TODO: 0.25 should be a parameter instead as it changes by influent/effluent
return self.params.BOD5_factor[i]*bod5

self.BOD5 = pyo.Expression(
["raw", "effluent"],
rule=_BOD5,
Comment on lines +423 to +425
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Maybe I'm just not understanding, but is there a reason these two are bundled together as opposed to having a separate expression for each?

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The only difference between the two is that for treated effluent, the whole expression should be multiplied by one value (0.25), while for another stateblock in the flowsheet (e.g., influent, stream bypassing activated sludge process, etc.), the expression is multiplied by another value (0.65). I could've made them separate but chose to do it this way. Note the BOD5_factor that I added to the parameter block is also indexed by "raw" or "effluent". (This is the factor that is 0.65 for "raw" and 0.25 for "effluent".)

doc="Five-day Biological Oxygen Demand (BOD5)",
)

def _COD(self):
cod = self.conc_mass_comp["S_S"] + self.conc_mass_comp["S_I"] + self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_S"] + self.conc_mass_comp["X_I"] + self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"]+ self.conc_mass_comp["X_P"]
return cod

self.COD = pyo.Expression(
rule=_COD,
doc="Chemical Oxygen Demand",
)

def _TKN(self):
tkn = self.conc_mass_comp["S_NH"] + self.conc_mass_comp["S_ND"] + self.conc_mass_comp["X_ND"] + self.params.i_xb * (self.conc_mass_comp["X_BH"] + self.conc_mass_comp["X_BA"]) + self.params.i_xp * (self.conc_mass_comp["X_P"] + self.conc_mass_comp["X_I"])
return tkn

self.TKN = pyo.Expression(
rule=_TKN,
doc="Total Kjeldahl Nitrogen",
)

def _Total_N(self):
totaln = self.TKN + self.conc_mass_comp["S_NO"]
return totaln

self.Total_N = pyo.Expression(
rule=_Total_N,
doc="Total Nitrogen",
)


iscale.set_scaling_factor(self.flow_vol, 1e1)
iscale.set_scaling_factor(self.temperature, 1e-1)
iscale.set_scaling_factor(self.pressure, 1e-6)
Expand Down
24 changes: 5 additions & 19 deletions watertap/property_models/activated_sludge/asm1_reactions.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@


# Some more information about this module
__author__ = "Andrew Lee, Xinhong Liu"
__author__ = "Andrew Lee, Xinhong Liu, Adam Atia"


# Set up logger
Expand Down Expand Up @@ -87,25 +87,11 @@ def build(self):
domain=pyo.PositiveReals,
doc="Yield of cell COD formed per g COD oxidized, Y_H",
)
self.f_p = pyo.Var(
initialize=0.08,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Fraction of biomass yielding particulate products, f_p",
)
self.i_xb = pyo.Var(
initialize=0.08,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Mass fraction of N per COD in biomass, i_xb",
)
self.i_xp = pyo.Var(
initialize=0.06,
units=pyo.units.dimensionless,
domain=pyo.PositiveReals,
doc="Mass fraction of N per COD in particulates, i_xp",
)

add_object_reference(self, "f_p", self.config.property_package.f_p)
add_object_reference(self, "i_xb", self.config.property_package.i_xb)
add_object_reference(self, "i_xp", self.config.property_package.i_xp)

# Kinetic Parameters
self.mu_A = pyo.Var(
initialize=0.5,
Expand Down
23 changes: 22 additions & 1 deletion watertap/property_models/activated_sludge/tests/test_asm1_thermo.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
#################################################################################
"""
Tests for ASM1 thermo property package.
Authors: Andrew Lee
Authors: Andrew Lee, Adam Atia
"""

import pytest
Expand Down Expand Up @@ -161,6 +161,18 @@ def test_build(self, model):
"X_ND",
]
assert value(model.props[1].conc_mass_comp[i]) == 0.1

assert isinstance(model.props[1].params.f_p, Var)
assert value(model.props[1].params.f_p) == 0.08
assert isinstance(model.props[1].params.i_xb, Var)
assert value(model.props[1].params.i_xb) == 0.08
assert isinstance(model.props[1].params.i_xp, Var)
assert value(model.props[1].params.i_xp) == 0.06
assert isinstance(model.props[1].params.COD_to_SS, Var)
assert value(model.props[1].params.COD_to_SS) == 0.75
assert isinstance(model.props[1].params.BOD5_factor, Var)
assert value(model.props[1].params.BOD5_factor["raw"]) == 0.65
assert value(model.props[1].params.BOD5_factor["effluent"]) == 0.25

assert isinstance(model.props[1].material_flow_expression, Expression)
for j in model.params.component_list:
Expand Down Expand Up @@ -320,3 +332,12 @@ def test_initialize(self, model):
@pytest.mark.unit
def check_units(self, model):
assert_units_consistent(model)

@pytest.mark.unit
def test_expressions(self, model):
assert value(model.props[1].TSS) == 0.375
assert value(model.props[1].COD) == pytest.approx(0.7999, rel=1e-3)
assert value(model.props[1].BOD5["effluent"]) == 0.096
assert value(model.props[1].BOD5["raw"]) == 0.096 *0.65/0.25
assert value(model.props[1].TKN) == pytest.approx(0.328, rel=1e-3)
assert value(model.props[1].Total_N) == pytest.approx(0.428, rel=1e-3)
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