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Replacing Expr_if & Changing Bio_P Default #1362

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merged 20 commits into from
May 10, 2024
Merged

Replacing Expr_if & Changing Bio_P Default #1362

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6dec5c3
Import smooth max into translator block
MarcusHolly Apr 19, 2024
46049a0
Replace Expr_ifs with smooth_max or smooth_min
MarcusHolly Apr 19, 2024
ce7dccb
Merge branch 'main' into replace_expr_ifs
MarcusHolly Apr 19, 2024
74b7ff6
differentiate between the eps smoothing function and the eps used els…
MarcusHolly Apr 23, 2024
e9e442c
Adjust the value of eps_smooth from 1e-10 to 1e-4
MarcusHolly Apr 23, 2024
73ff9b4
Temporarily add diagnostic toolbox and scaling checks
MarcusHolly Apr 24, 2024
fdab851
Merge branch 'main' into replace_expr_ifs
MarcusHolly Apr 25, 2024
0956b3a
Continue playing around with scaling and tear guesses
MarcusHolly Apr 25, 2024
040e57e
Reset flowsheet to the version in main
MarcusHolly Apr 25, 2024
3f574bb
Reset flowsheet to the version in main
MarcusHolly Apr 25, 2024
05e53ec
Merge branch 'main' into replace_expr_ifs
MarcusHolly Apr 26, 2024
a94da70
Change bio_P default to False
MarcusHolly Apr 26, 2024
0880862
Replace separators with clarifiers and modify tear guesses
MarcusHolly Apr 26, 2024
608c866
Update test
MarcusHolly Apr 26, 2024
a470c78
Add bio_P config option to Extended BSM2 flowsheet and testing
MarcusHolly May 3, 2024
f3c9e1c
Address merge conflicts
MarcusHolly May 3, 2024
184fedf
Minor adjustments to test solutions
MarcusHolly May 3, 2024
91235fa
Minor improvements to bio_P=True tear guesses
MarcusHolly May 6, 2024
0cc70ea
Clean up code
MarcusHolly May 6, 2024
def8473
Merge branch 'main' into replace_expr_ifs
lbianchi-lbl May 10, 2024
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176 changes: 116 additions & 60 deletions ...xamples/flowsheets/case_studies/full_water_resource_recovery_facility/BSM2_P_extension.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -44,6 +44,7 @@
stream_table_dataframe_to_string,
)
from watertap.unit_models.cstr_injection import CSTR_Injection
from watertap.unit_models.clarifier import Clarifier
from watertap.property_models.anaerobic_digestion.modified_adm1_properties import (
ModifiedADM1ParameterBlock,
)
Expand Down Expand Up @@ -79,16 +80,16 @@
_log = idaeslog.getLogger(__name__)


def main():
m = build()
def main(bio_P=True):
m = build(bio_P=bio_P)
set_operating_conditions(m)
for mx in m.fs.mixers:
mx.pressure_equality_constraints[0.0, 2].deactivate()
m.fs.MX3.pressure_equality_constraints[0.0, 2].deactivate()
m.fs.MX3.pressure_equality_constraints[0.0, 3].deactivate()
print(f"DOF before initialization: {degrees_of_freedom(m)}")

initialize_system(m)
initialize_system(m, bio_P=bio_P)
for mx in m.fs.mixers:
mx.pressure_equality_constraints[0.0, 2].deactivate()
m.fs.MX3.pressure_equality_constraints[0.0, 2].deactivate()
Expand Down Expand Up @@ -118,7 +119,7 @@ def main():
return m, results


def build():
def build(bio_P=False):
m = pyo.ConcreteModel()

m.fs = FlowsheetBlock(dynamic=False)
Expand All @@ -139,7 +140,7 @@ def build():

# ====================================================================
# Primary Clarifier
m.fs.CL = Separator(
m.fs.CL = Clarifier(
property_package=m.fs.props_ASM2D,
outlet_list=["underflow", "effluent"],
split_basis=SplittingType.componentFlow,
Expand Down Expand Up @@ -185,8 +186,7 @@ def build():
property_package=m.fs.props_ASM2D, outlet_list=["underflow", "overflow"]
)
# Secondary Clarifier
# TODO: Replace with more detailed model when available
m.fs.CL2 = Separator(
m.fs.CL2 = Clarifier(
property_package=m.fs.props_ASM2D,
outlet_list=["underflow", "effluent"],
split_basis=SplittingType.componentFlow,
Expand Down Expand Up @@ -233,6 +233,7 @@ def build():
outlet_reaction_package=m.fs.rxn_props_ADM1,
has_phase_equilibrium=False,
outlet_state_defined=True,
bio_P=bio_P,
)

# Anaerobic digester
Expand Down Expand Up @@ -515,7 +516,7 @@ def scale_variables(m):
iscale.calculate_scaling_factors(m)


def initialize_system(m):
def initialize_system(m, bio_P=False):
# Initialize flowsheet
# Apply sequential decomposition - 1 iteration should suffice
seq = SequentialDecomposition()
Expand All @@ -530,58 +531,113 @@ def initialize_system(m):
for o in order:
print(o[0].name)

# Initial guesses for flow into first reactor
tear_guesses = {
"flow_vol": {0: 1.2368},
"conc_mass_comp": {
(0, "S_A"): 0.0007,
(0, "S_F"): 0.000429,
(0, "S_I"): 0.05745,
(0, "S_N2"): 0.0534,
(0, "S_NH4"): 0.0092,
(0, "S_NO3"): 0.00403,
(0, "S_O2"): 0.00192,
(0, "S_PO4"): 0.0123,
(0, "S_K"): 0.373,
(0, "S_Mg"): 0.023,
(0, "S_IC"): 0.135,
(0, "X_AUT"): 0.1382,
(0, "X_H"): 3.6356,
(0, "X_I"): 3.2611,
(0, "X_PAO"): 3.3542,
(0, "X_PHA"): 0.089416,
(0, "X_PP"): 1.1127,
(0, "X_S"): 0.059073,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}

tear_guesses2 = {
"flow_vol": {0: 0.003},
"conc_mass_comp": {
(0, "S_A"): 0.10,
(0, "S_F"): 0.16,
(0, "S_I"): 0.05745,
(0, "S_N2"): 0.039,
(0, "S_NH4"): 0.034,
(0, "S_NO3"): 0.0028,
(0, "S_O2"): 0.00136,
(0, "S_PO4"): 0.0254,
(0, "S_K"): 0.379,
(0, "S_Mg"): 0.0267,
(0, "S_IC"): 0.078,
(0, "X_AUT"): 0.342,
(0, "X_H"): 23.4,
(0, "X_I"): 11.5,
(0, "X_PAO"): 10.3,
(0, "X_PHA"): 0.0044,
(0, "X_PP"): 2.76,
(0, "X_S"): 3.83,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}
if bio_P:
# Initial guesses for flow into first reactor
tear_guesses = {
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How did you arrive at these new guesses?

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I got the initial guesses from Chenyu's ElectroN-P flowsheet, and then I made some very slight modifications to them.

"flow_vol": {0: 1.2368},
"conc_mass_comp": {
(0, "S_A"): 0.0009,
(0, "S_F"): 0.00042,
(0, "S_I"): 0.05745,
(0, "S_N2"): 0.0534,
(0, "S_NH4"): 0.0089,
(0, "S_NO3"): 0.0046,
(0, "S_O2"): 0.0046,
(0, "S_PO4"): 0.0118,
(0, "S_K"): 0.373,
(0, "S_Mg"): 0.023,
(0, "S_IC"): 0.1366,
(0, "X_AUT"): 0.135,
(0, "X_H"): 3.647,
(0, "X_I"): 3.314,
(0, "X_PAO"): 2.984,
(0, "X_PHA"): 0.083,
(0, "X_PP"): 0.9907,
(0, "X_S"): 0.05823,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}

tear_guesses2 = {
"flow_vol": {0: 0.003},
"conc_mass_comp": {
(0, "S_A"): 0.10,
(0, "S_F"): 0.16,
(0, "S_I"): 0.05745,
(0, "S_N2"): 0.039,
(0, "S_NH4"): 0.035,
(0, "S_NO3"): 0.0032,
(0, "S_O2"): 0.00314,
(0, "S_PO4"): 0.0238,
(0, "S_K"): 0.379,
(0, "S_Mg"): 0.026,
(0, "S_IC"): 0.078,
(0, "X_AUT"): 0.342,
(0, "X_H"): 23.95,
(0, "X_I"): 11.9,
(0, "X_PAO"): 9.62,
(0, "X_PHA"): 0.0033,
(0, "X_PP"): 2.51,
(0, "X_S"): 3.92,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}

else:
# Initial guesses for flow into first reactor
tear_guesses = {
"flow_vol": {0: 1.235},
"conc_mass_comp": {
(0, "S_A"): 0.0007,
(0, "S_F"): 0.0004,
(0, "S_I"): 0.0575,
(0, "S_N2"): 0.05,
(0, "S_NH4"): 0.007,
(0, "S_NO3"): 0.0035,
(0, "S_O2"): 0.00192,
(0, "S_PO4"): 0.02,
(0, "S_K"): 0.37,
(0, "S_Mg"): 0.02,
(0, "S_IC"): 0.11,
(0, "X_AUT"): 0.12,
(0, "X_H"): 3.3,
(0, "X_I"): 3.0,
(0, "X_PAO"): 2.3,
(0, "X_PHA"): 0.06,
(0, "X_PP"): 0.75,
(0, "X_S"): 0.050,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}

tear_guesses2 = {
"flow_vol": {0: 0.0027},
"conc_mass_comp": {
(0, "S_A"): 0.044,
(0, "S_F"): 0.15,
(0, "S_I"): 0.0575,
(0, "S_N2"): 0.035,
(0, "S_NH4"): 0.03,
(0, "S_NO3"): 0.002,
(0, "S_O2"): 0.0012,
(0, "S_PO4"): 0.02,
(0, "S_K"): 0.38,
(0, "S_Mg"): 0.023,
(0, "S_IC"): 0.063,
(0, "X_AUT"): 0.31,
(0, "X_H"): 24.8,
(0, "X_I"): 11.8,
(0, "X_PAO"): 8.5,
(0, "X_PHA"): 0.086,
(0, "X_PP"): 2.1,
(0, "X_S"): 4.2,
},
"temperature": {0: 308.15},
"pressure": {0: 101325},
}

# Pass the tear_guess to the SD tool
seq.set_guesses_for(m.fs.R3.inlet, tear_guesses)
Expand Down
83 changes: 80 additions & 3 deletions ...owsheets/case_studies/full_water_resource_recovery_facility/test/test_BSM2_P_extension.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,6 @@
# Some more information about this module
__author__ = "Chenyu Wang"

import pytest
import pytest

from pyomo.environ import assert_optimal_termination, value
Expand All @@ -29,15 +28,93 @@

from watertap.examples.flowsheets.case_studies.full_water_resource_recovery_facility.BSM2_P_extension import (
main,
solve,
)


class TestFullFlowsheet:
@pytest.mark.requires_idaes_solver
@pytest.fixture(scope="class")
def system_frame(self):
m, res = main()
m, res = main(bio_P=False)
m.results = res
return m

@pytest.mark.requires_idaes_solver
@pytest.mark.integration
def test_structure(self, system_frame):
assert_units_consistent(system_frame)
assert degrees_of_freedom(system_frame) == 0
assert_optimal_termination(system_frame.results)

@pytest.mark.requires_idaes_solver
@pytest.mark.component
def test_solve(self, system_frame):
m = system_frame

assert value(m.fs.Treated.properties[0].flow_vol) == pytest.approx(
0.2422, rel=1e-3
)
assert value(m.fs.Treated.properties[0].conc_mass_comp["S_A"]) == pytest.approx(
5.21698e-07, rel=1e-3
)
assert value(m.fs.Treated.properties[0].conc_mass_comp["S_F"]) == pytest.approx(
0.00029232, rel=1e-3
)
assert value(m.fs.Treated.properties[0].conc_mass_comp["S_I"]) == pytest.approx(
0.057450, rel=1e-3
)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_N2"]
) == pytest.approx(0.058906, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_NH4"]
) == pytest.approx(0.00012576, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_NO3"]
) == pytest.approx(0.0097215, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_O2"]
) == pytest.approx(0.00772288, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_PO4"]
) == pytest.approx(0.495041, rel=1e-3)
assert value(m.fs.Treated.properties[0].conc_mass_comp["S_K"]) == pytest.approx(
0.37011, rel=1e-2
)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_Mg"]
) == pytest.approx(0.01912677, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["S_IC"]
) == pytest.approx(0.130732, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["X_AUT"]
) == pytest.approx(0.00053442, rel=1e-3)
assert value(m.fs.Treated.properties[0].conc_mass_comp["X_H"]) == pytest.approx(
0.012031, rel=1e-3
)
assert value(m.fs.Treated.properties[0].conc_mass_comp["X_I"]) == pytest.approx(
0.0116256, rel=1e-3
)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["X_PAO"]
) == pytest.approx(0.00805345, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["X_PHA"]
) == pytest.approx(2.632e-06, rel=1e-3)
assert value(
m.fs.Treated.properties[0].conc_mass_comp["X_PP"]
) == pytest.approx(0.0027335, rel=1e-3)
assert value(m.fs.Treated.properties[0].conc_mass_comp["X_S"]) == pytest.approx(
0.00018726, rel=1e-3
)


class TestFullFlowsheetBioPTrue:
@pytest.mark.requires_idaes_solver
@pytest.fixture(scope="class")
def system_frame(self):
m, res = main(bio_P=True)
m.results = res
return m

Expand Down
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