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BSM2 Translator Block Re-Scaling #1546

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BSM2 Translator Block Re-Scaling #1546

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bb5b4a7
Preliminary files for ADM1/ASM2d scaler
MarcusHolly Dec 23, 2024
cf9cda7
Resolve translator block scaler issues
MarcusHolly Dec 27, 2024
2ca4be2
Add scaler for ASM2/ADM1
MarcusHolly Dec 27, 2024
4924a03
Add ASM2d/ADM1 scaler
MarcusHolly Dec 27, 2024
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318 changes: 316 additions & 2 deletions watertap/unit_models/translators/tests/test_translator_adm1_asm1.py
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Original file line number Diff line number Diff line change
Expand Up @@ -24,9 +24,12 @@
ConcreteModel,
value,
assert_optimal_termination,
Suffix,
TransformationFactory,
)

from idaes.core import FlowsheetBlock
import idaes.core.util.scaling as iscale

from pyomo.environ import units

Expand All @@ -39,21 +42,29 @@
)

from idaes.core.util.testing import initialization_tester
from idaes.core.util.scaling import (
get_jacobian,
jacobian_cond,
)

from watertap.unit_models.translators.translator_adm1_asm1 import Translator_ADM1_ASM1
from watertap.unit_models.translators.translator_adm1_asm1 import (
Translator_ADM1_ASM1,
ADM1ASM1Scaler,
)
from watertap.property_models.unit_specific.anaerobic_digestion.adm1_properties import (
ADM1ParameterBlock,
ADM1PropertiesScaler,
)

from watertap.property_models.unit_specific.activated_sludge.asm1_properties import (
ASM1ParameterBlock,
ASM1PropertiesScaler,
)

from watertap.property_models.unit_specific.anaerobic_digestion.adm1_reactions import (
ADM1ReactionParameterBlock,
)


from pyomo.util.check_units import assert_units_consistent

# -----------------------------------------------------------------------------
Expand Down Expand Up @@ -288,3 +299,306 @@ def test_conservation(self, admasm):
)
<= 1e-6
)


class TestADM1ASM1Scaler:
@pytest.fixture
def model(self):
m = ConcreteModel()

m.fs = FlowsheetBlock(dynamic=False)

m.fs.props_ASM1 = ASM1ParameterBlock()
m.fs.props_ADM1 = ADM1ParameterBlock()
m.fs.ADM1_rxn_props = ADM1ReactionParameterBlock(
property_package=m.fs.props_ADM1
)

m.fs.unit = Translator_ADM1_ASM1(
inlet_property_package=m.fs.props_ADM1,
outlet_property_package=m.fs.props_ASM1,
reaction_package=m.fs.ADM1_rxn_props,
has_phase_equilibrium=False,
outlet_state_defined=True,
)

m.fs.unit.inlet.flow_vol.fix(170 * units.m**3 / units.day)
m.fs.unit.inlet.temperature.fix(308.15 * units.K)
m.fs.unit.inlet.pressure.fix(1 * units.atm)

m.fs.unit.inlet.conc_mass_comp[0, "S_su"].fix(12.394 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_aa"].fix(5.54 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_fa"].fix(107.41 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_va"].fix(12.33 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_bu"].fix(14.00 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_pro"].fix(17.584 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ac"].fix(89.315 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_h2"].fix(2.55e-4 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ch4"].fix(55.49 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_IC"].fix(
95.149 * units.mmol / units.liter * 12 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_IN"].fix(
94.468 * units.mmol / units.liter * 14 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_I"].fix(130.87 * units.mg / units.liter)

m.fs.unit.inlet.conc_mass_comp[0, "X_c"].fix(107.92 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ch"].fix(20.517 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pr"].fix(84.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_li"].fix(43.629 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_su"].fix(312.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_aa"].fix(931.67 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_fa"].fix(338.39 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_c4"].fix(335.77 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pro"].fix(101.12 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ac"].fix(677.24 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_h2"].fix(284.84 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_I"].fix(17216 * units.mg / units.liter)

m.fs.unit.inlet.cations[0].fix(1e-8 * units.mmol / units.liter)
m.fs.unit.inlet.anions[0].fix(5.21 * units.mmol / units.liter)

return m

@pytest.mark.component
def test_variable_scaling_routine(self, model):
scaler = model.fs.unit.default_scaler()

assert isinstance(scaler, ADM1ASM1Scaler)

scaler.variable_scaling_routine(model.fs.unit)

# Inlet state
sfx_in = model.fs.unit.properties_in[0].scaling_factor
assert isinstance(sfx_in, Suffix)
assert len(sfx_in) == 3
assert sfx_in[model.fs.unit.properties_in[0].flow_vol] == pytest.approx(
1e5, rel=1e-8
)
assert sfx_in[model.fs.unit.properties_in[0].pressure] == pytest.approx(
1e-6, rel=1e-8
)
assert sfx_in[model.fs.unit.properties_in[0].temperature] == pytest.approx(
1e-1, rel=1e-8
)

# Outlet state - should be the same as the inlet
sfx_underflow = model.fs.unit.properties_out[0].scaling_factor
assert isinstance(sfx_underflow, Suffix)
assert len(sfx_underflow) == 3
assert sfx_underflow[model.fs.unit.properties_out[0].flow_vol] == pytest.approx(
1e5, rel=1e-8
)
assert sfx_underflow[model.fs.unit.properties_out[0].pressure] == pytest.approx(
1e-6, rel=1e-8
)
assert sfx_underflow[
model.fs.unit.properties_out[0].temperature
] == pytest.approx(1e-1, rel=1e-8)

@pytest.mark.component
def test_constraint_scaling_routine(self, model):
scaler = model.fs.unit.default_scaler()

assert isinstance(scaler, ADM1ASM1Scaler)

scaler.constraint_scaling_routine(model.fs.unit)

sfx_unit = model.fs.unit.scaling_factor
assert isinstance(sfx_unit, Suffix)
assert len(sfx_unit) == 16

@pytest.mark.component
def test_scale_model(self, model):
scaler = model.fs.unit.default_scaler()

assert isinstance(scaler, ADM1ASM1Scaler)

scaler.scale_model(model.fs.unit)

# Inlet state
sfx_in = model.fs.unit.properties_in[0].scaling_factor
assert isinstance(sfx_in, Suffix)
assert len(sfx_in) == 3
assert sfx_in[model.fs.unit.properties_in[0].flow_vol] == pytest.approx(
1e5, rel=1e-8
)
assert sfx_in[model.fs.unit.properties_in[0].pressure] == pytest.approx(
1e-6, rel=1e-8
)
assert sfx_in[model.fs.unit.properties_in[0].temperature] == pytest.approx(
1e-1, rel=1e-8
)

# Outlet state - should be the same as the inlet
sfx_underflow = model.fs.unit.properties_out[0].scaling_factor
assert isinstance(sfx_underflow, Suffix)
assert len(sfx_underflow) == 3
assert sfx_underflow[model.fs.unit.properties_out[0].flow_vol] == pytest.approx(
1e5, rel=1e-8
)
assert sfx_underflow[model.fs.unit.properties_out[0].pressure] == pytest.approx(
1e-6, rel=1e-8
)
assert sfx_underflow[
model.fs.unit.properties_out[0].temperature
] == pytest.approx(1e-1, rel=1e-8)

sfx_overflow = model.fs.unit.properties_out[0].scaling_factor
assert isinstance(sfx_overflow, Suffix)
assert len(sfx_overflow) == 3
assert sfx_overflow[model.fs.unit.properties_out[0].flow_vol] == pytest.approx(
1e5, rel=1e-8
)
assert sfx_overflow[model.fs.unit.properties_out[0].pressure] == pytest.approx(
1e-6, rel=1e-8
)
assert sfx_overflow[
model.fs.unit.properties_out[0].temperature
] == pytest.approx(1e-1, rel=1e-8)

# Check that unit model has scaling factors
sfx_unit = model.fs.unit.scaling_factor
assert isinstance(sfx_unit, Suffix)
assert len(sfx_unit) == 16

# TODO: Remove test once iscale is deprecated
@pytest.mark.integration
def test_example_case_iscale(self):
m = ConcreteModel()

m.fs = FlowsheetBlock(dynamic=False)

m.fs.props_ASM1 = ASM1ParameterBlock()
m.fs.props_ADM1 = ADM1ParameterBlock()
m.fs.ADM1_rxn_props = ADM1ReactionParameterBlock(
property_package=m.fs.props_ADM1
)

m.fs.unit = Translator_ADM1_ASM1(
inlet_property_package=m.fs.props_ADM1,
outlet_property_package=m.fs.props_ASM1,
reaction_package=m.fs.ADM1_rxn_props,
has_phase_equilibrium=False,
outlet_state_defined=True,
)

m.fs.unit.inlet.flow_vol.fix(170 * units.m**3 / units.day)
m.fs.unit.inlet.temperature.fix(308.15 * units.K)
m.fs.unit.inlet.pressure.fix(1 * units.atm)

m.fs.unit.inlet.conc_mass_comp[0, "S_su"].fix(12.394 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_aa"].fix(5.54 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_fa"].fix(107.41 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_va"].fix(12.33 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_bu"].fix(14.00 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_pro"].fix(17.584 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ac"].fix(89.315 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_h2"].fix(2.55e-4 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ch4"].fix(55.49 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_IC"].fix(
95.149 * units.mmol / units.liter * 12 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_IN"].fix(
94.468 * units.mmol / units.liter * 14 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_I"].fix(130.87 * units.mg / units.liter)

m.fs.unit.inlet.conc_mass_comp[0, "X_c"].fix(107.92 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ch"].fix(20.517 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pr"].fix(84.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_li"].fix(43.629 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_su"].fix(312.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_aa"].fix(931.67 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_fa"].fix(338.39 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_c4"].fix(335.77 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pro"].fix(101.12 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ac"].fix(677.24 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_h2"].fix(284.84 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_I"].fix(17216 * units.mg / units.liter)

m.fs.unit.inlet.cations[0].fix(1e-8 * units.mmol / units.liter)
m.fs.unit.inlet.anions[0].fix(5.21 * units.mmol / units.liter)

# Check condition number to confirm scaling
iscale.calculate_scaling_factors(m)

sm = TransformationFactory("core.scale_model").create_using(m, rename=False)
jac, _ = get_jacobian(sm, scaled=False)
assert (jacobian_cond(jac=jac, scaled=False)) == pytest.approx(
3.872983349e5, rel=1e-3
)

@pytest.mark.integration
def test_example_case_scaler(self):
m = ConcreteModel()

m.fs = FlowsheetBlock(dynamic=False)

m.fs.props_ASM1 = ASM1ParameterBlock()
m.fs.props_ADM1 = ADM1ParameterBlock()
m.fs.ADM1_rxn_props = ADM1ReactionParameterBlock(
property_package=m.fs.props_ADM1
)

m.fs.unit = Translator_ADM1_ASM1(
inlet_property_package=m.fs.props_ADM1,
outlet_property_package=m.fs.props_ASM1,
reaction_package=m.fs.ADM1_rxn_props,
has_phase_equilibrium=False,
outlet_state_defined=True,
)

m.fs.unit.inlet.flow_vol.fix(170 * units.m**3 / units.day)
m.fs.unit.inlet.temperature.fix(308.15 * units.K)
m.fs.unit.inlet.pressure.fix(1 * units.atm)

m.fs.unit.inlet.conc_mass_comp[0, "S_su"].fix(12.394 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_aa"].fix(5.54 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_fa"].fix(107.41 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_va"].fix(12.33 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_bu"].fix(14.00 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_pro"].fix(17.584 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ac"].fix(89.315 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_h2"].fix(2.55e-4 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_ch4"].fix(55.49 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "S_IC"].fix(
95.149 * units.mmol / units.liter * 12 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_IN"].fix(
94.468 * units.mmol / units.liter * 14 * units.mg / units.mmol
)
m.fs.unit.inlet.conc_mass_comp[0, "S_I"].fix(130.87 * units.mg / units.liter)

m.fs.unit.inlet.conc_mass_comp[0, "X_c"].fix(107.92 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ch"].fix(20.517 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pr"].fix(84.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_li"].fix(43.629 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_su"].fix(312.22 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_aa"].fix(931.67 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_fa"].fix(338.39 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_c4"].fix(335.77 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_pro"].fix(101.12 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_ac"].fix(677.24 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_h2"].fix(284.84 * units.mg / units.liter)
m.fs.unit.inlet.conc_mass_comp[0, "X_I"].fix(17216 * units.mg / units.liter)

m.fs.unit.inlet.cations[0].fix(1e-8 * units.mmol / units.liter)
m.fs.unit.inlet.anions[0].fix(5.21 * units.mmol / units.liter)

scaler = ADM1ASM1Scaler()
scaler.scale_model(
m.fs.unit,
submodel_scalers={
m.fs.unit.properties_in: ADM1PropertiesScaler,
m.fs.unit.properties_out: ASM1PropertiesScaler,
},
)

# Check condition number to confirm scaling
sm = TransformationFactory("core.scale_model").create_using(m, rename=False)
jac, _ = get_jacobian(sm, scaled=False)
assert (jacobian_cond(jac=jac, scaled=False)) == pytest.approx(
5.4739117e3, rel=1e-3
)
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