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Additional SOC Updates #1667

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e0ed4a6
rescue files from branch
dallan-keylogic Sep 18, 2025
3e70da3
clean up code
dallan-keylogic Sep 18, 2025
69d169d
cross flow heat exchanger tests and formatting
dallan-keylogic Sep 18, 2025
f963ff3
Add tests for solid oxide cell and TPB
dallan-keylogic Sep 18, 2025
3200bf7
solve test with heat loss terms
dallan-keylogic Sep 19, 2025
8c038a3
run Black
dallan-keylogic Sep 19, 2025
c3e6efb
pylint
dallan-keylogic Sep 19, 2025
297fafb
fix model check and add additonal tests
dallan-keylogic Sep 22, 2025
bcb384e
get rid of warning when using LL collocation
dallan-keylogic Sep 25, 2025
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29 changes: 29 additions & 0 deletions idaes/core/base/control_volume1d.py
View file
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Original file line number Diff line number Diff line change
Expand Up @@ -749,6 +749,7 @@ def material_holdup_calculation(b, t, x, p, j):
doc="Kinetic reaction stoichiometry constraint",
)
def rate_reaction_stoichiometry_constraint(b, t, x, p, j):
# TODO what about collocation?
if (
b.config.transformation_scheme != "FORWARD"
and x == b.length_domain.first()
Expand Down Expand Up @@ -830,6 +831,7 @@ def equilibrium_reaction_stoichiometry_constraint(b, t, x, p, j):
doc="Inherent reaction stoichiometry",
)
def inherent_reaction_stoichiometry_constraint(b, t, x, p, j):
# TODO Collocation
if (
b.config.transformation_scheme != "FORWARD"
and x == b.length_domain.first()
Expand Down Expand Up @@ -910,6 +912,7 @@ def user_term_mass(b, t, x, p, j):
doc="Material balances",
)
def material_balances(b, t, x, p, j):
# TODO Collocation
if (
b.config.transformation_scheme != "FORWARD"
and x == b.length_domain.first()
Expand Down Expand Up @@ -2516,13 +2519,22 @@ def calculate_scaling_factors(self):
overwrite=False,
)

if hasattr(self, "_flow_terms_cont_eq"):
for (t, x, p, j), c in self._flow_terms_cont_eq.items():
iscale.constraint_scaling_transform(
c,
iscale.get_scaling_factor(self._flow_terms[t, x, p, j]),
overwrite=False,
)

if hasattr(self, "material_accumulation_disc_eq"):
for (t, x, p, j), c in self.material_accumulation_disc_eq.items():
iscale.constraint_scaling_transform(
c,
iscale.get_scaling_factor(self.material_accumulation[t, x, p, j]),
overwrite=False,
)
# TODO continuity

# Scaling for discretization equations
if hasattr(self, "enthalpy_flow_dx_disc_eq"):
Expand All @@ -2532,6 +2544,13 @@ def calculate_scaling_factors(self):
iscale.get_scaling_factor(self.enthalpy_flow_dx[t, x, p]),
overwrite=False,
)
if hasattr(self, "_enthalpy_flow_length_domain_cont_eq"):
for (t, x, p), c in self._enthalpy_flow_length_domain_cont_eq.items():
iscale.constraint_scaling_transform(
c,
iscale.get_scaling_factor(self._enthalpy_flow[t, x, p]),
overwrite=False,
)

if hasattr(self, "energy_accumulation_disc_eq"):
for (t, x, p), c in self.energy_accumulation_disc_eq.items():
Expand All @@ -2540,6 +2559,7 @@ def calculate_scaling_factors(self):
iscale.get_scaling_factor(self.energy_accumulation[t, x, p]),
overwrite=False,
)
# TODO continuity

if hasattr(self, "pressure_dx_disc_eq"):
for (t, x), c in self.pressure_dx_disc_eq.items():
Expand All @@ -2548,6 +2568,13 @@ def calculate_scaling_factors(self):
iscale.get_scaling_factor(self.pressure_dx[t, x]),
overwrite=False,
)
if hasattr(self, "pressure_length_domain_cont_eq"):
for (t, x), c in self.pressure_length_domain_cont_eq.items():
iscale.constraint_scaling_transform(
c,
iscale.get_scaling_factor(self.properties[t, x].pressure),
overwrite=False,
)

if hasattr(self, "elemental_flow_dx_disc_eq"):
for (t, x, e), c in self.elemental_flow_dx_disc_eq.items():
Expand All @@ -2564,3 +2591,5 @@ def calculate_scaling_factors(self):
iscale.get_scaling_factor(self.element_accumulation[t, x, e]),
overwrite=False,
)

# TODO continuity equation
58 changes: 30 additions & 28 deletions idaes/models/unit_models/heat_exchanger_1D.py
View file
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Original file line number Diff line number Diff line change
Expand Up @@ -517,38 +517,40 @@ def build(self):
if self.config.flow_type == HeatExchangerFlowPattern.cocurrent:
set_direction_hot = FlowDirection.forward
set_direction_cold = FlowDirection.forward
if self.config.hot_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"hot_side",
"cocurrent",
self.config.hot_side.transformation_scheme,
"BACKWARD",
)
if self.config.cold_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"cold_side",
"cocurrent",
self.config.cold_side.transformation_scheme,
"BACKWARD",
)
if self.config.hot_side.transformation_method == "dae.finite_difference":
if self.config.hot_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"hot_side",
"cocurrent",
self.config.hot_side.transformation_scheme,
"BACKWARD",
)
if self.config.cold_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"cold_side",
"cocurrent",
self.config.cold_side.transformation_scheme,
"BACKWARD",
)

elif self.config.flow_type == HeatExchangerFlowPattern.countercurrent:
set_direction_hot = FlowDirection.forward
set_direction_cold = FlowDirection.backward
if self.config.hot_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"hot_side",
"countercurrent",
self.config.hot_side.transformation_scheme,
"BACKWARD",
)
if self.config.cold_side.transformation_scheme != "FORWARD":
_log_upwinding_disclaimer(
"cold_side",
"countercurrent",
self.config.cold_side.transformation_scheme,
"FORWARD",
)
if self.config.hot_side.transformation_method == "dae.finite_difference":
if self.config.hot_side.transformation_scheme != "BACKWARD":
_log_upwinding_disclaimer(
"hot_side",
"countercurrent",
self.config.hot_side.transformation_scheme,
"BACKWARD",
)
if self.config.cold_side.transformation_scheme != "FORWARD":
_log_upwinding_disclaimer(
"cold_side",
"countercurrent",
self.config.cold_side.transformation_scheme,
"FORWARD",
)
else:
raise ConfigurationError(
"{} HeatExchanger1D only supports cocurrent and "
Expand Down
37 changes: 37 additions & 0 deletions idaes/models/unit_models/tests/test_heat_exchanger_1D.py
View file
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Original file line number Diff line number Diff line change
Expand Up @@ -511,6 +511,43 @@ def test_config_validation_mismatched_collocation(caplog):
)


@pytest.mark.unit
def test_config_validation_collocation_no_warning(caplog):
m = ConcreteModel()
m.fs = FlowsheetBlock(dynamic=False)
m.fs.properties = BTXParameterBlock(valid_phase="Liq")
caplog.clear()

with caplog.at_level(idaeslog.INFO):
m.fs.HX_cocurrent = HX1D(
hot_side={
"property_package": m.fs.properties,
"transformation_method": "dae.collocation",
"transformation_scheme": "LAGRANGE-LEGENDRE",
},
cold_side={
"property_package": m.fs.properties,
"transformation_method": "dae.collocation",
"transformation_scheme": "LAGRANGE-LEGENDRE",
},
flow_type=HeatExchangerFlowPattern.cocurrent,
)
m.fs.HX_countercurrent = HX1D(
hot_side={
"property_package": m.fs.properties,
"transformation_method": "dae.collocation",
"transformation_scheme": "LAGRANGE-LEGENDRE",
},
cold_side={
"property_package": m.fs.properties,
"transformation_method": "dae.collocation",
"transformation_scheme": "LAGRANGE-LEGENDRE",
},
flow_type=HeatExchangerFlowPattern.countercurrent,
)
assert len(caplog.text) == 0


# -----------------------------------------------------------------------------
class TestBTX_cocurrent(object):
@pytest.fixture(scope="class")
Expand Down
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