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Small Modification to Multi Effect Crystallizer #163

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Small Modification to Multi Effect Crystallizer #163

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954a5b0
linking constraints on main unit model self rather than effect models
kurbansitterley Jan 7, 2025
70ad476
update test
kurbansitterley Jan 7, 2025
40ada25
Merge branch 'main' into mec_modift
kurbansitterley Jan 7, 2025
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15 changes: 5 additions & 10 deletions src/watertap_contrib/reflo/unit_models/multi_effect_crystallizer.py
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Original file line number Diff line number Diff line change
Expand Up @@ -13,9 +13,7 @@

# Import Pyomo libraries
from pyomo.environ import (
ConcreteModel,
check_optimal_termination,
assert_optimal_termination,
Var,
Constraint,
Expression,
Expand All @@ -32,15 +30,12 @@
UnitModelBlockData,
useDefault,
FlowsheetBlock,
UnitModelCostingBlock,
)
from idaes.core.util.exceptions import InitializationError, ConfigurationError
import idaes.core.util.scaling as iscale
from idaes.core.util.config import is_physical_parameter_block
from idaes.core.util.model_statistics import degrees_of_freedom
from idaes.core.util.tables import create_stream_table_dataframe
import idaes.logger as idaeslog
from idaes.core.util.constants import Constants

from watertap.core import InitializationMixin, ControlVolume0DBlock
from watertap.core.solvers import get_solver
Expand Down Expand Up @@ -283,7 +278,7 @@ def eq_heating_steam_flow_rate(b):
- effect.temperature_operating,
doc=f"Change in temperature at inlet for effect {n}",
)
effect.add_component(
self.add_component(
f"eq_delta_temperature_inlet_effect_{n}", del_temp_in_constr
)

Expand All @@ -293,7 +288,7 @@ def eq_heating_steam_flow_rate(b):
- effect.properties_in[0].temperature,
doc=f"Change in temperature at outlet for effect {n}",
)
effect.add_component(
self.add_component(
f"eq_delta_temperature_outlet_effect_{n}", del_temp_out_constr
)

Expand All @@ -304,14 +299,14 @@ def eq_heating_steam_flow_rate(b):
* effect.delta_temperature[0],
doc=f"Heat transfer equation for effect {n}",
)
effect.add_component(f"eq_heat_transfer_effect_{n}", hx_constr)
self.add_component(f"eq_heat_transfer_effect_{n}", hx_constr)

energy_flow_constr = Constraint(
expr=effect.work_mechanical[0]
== prev_effect.energy_flow_superheated_vapor,
doc=f"Energy supplied to effect {n}",
)
effect.add_component(
self.add_component(
f"eq_energy_for_effect_{n}_from_effect_{n - 1}", energy_flow_constr
)

Expand Down Expand Up @@ -456,7 +451,7 @@ def initialize_build(
else:
# Deactivate contraint that links energy flow between effects
linking_constr = getattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
self, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)
linking_constr.deactivate()
eff.effect.initialize(**init_args)
Expand Down
63 changes: 27 additions & 36 deletions src/watertap_contrib/reflo/unit_models/tests/test_multi_effect_crystallizer.py
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Original file line number Diff line number Diff line change
Expand Up @@ -441,9 +441,6 @@ def test_build(self, MEC2_frame):
assert hasattr(eff.effect, e)
for c in effect_constr:
assert hasattr(eff.effect, c)
assert hasattr(eff.effect, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(eff.effect, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(eff.effect, f"eq_heat_transfer_effect_{n}")
if n == 1:
assert number_variables(eff.effect) == 154
assert number_total_constraints(eff.effect) == 128
Expand All @@ -454,10 +451,13 @@ def test_build(self, MEC2_frame):
assert hasattr(eff.effect, "eq_heating_steam_flow_rate")
if n != 1:
assert number_variables(eff.effect) == 148
assert number_total_constraints(eff.effect) == 126
assert number_unused_variables(eff.effect) == 0
assert number_total_constraints(eff.effect) == 122
assert number_unused_variables(eff.effect) == 4
assert hasattr(m.fs.unit, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_heat_transfer_effect_{n}")
assert hasattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)

assert number_variables(m) == 461
Expand All @@ -476,10 +476,7 @@ def test_dof(self, MEC2_frame):
# Fixing flow rates into individual effects will reduce DOF...
for n, eff in m.fs.unit.effects.items():
eff.effect.properties_in[0].flow_mass_phase_comp.fix()
if n == 1:
assert degrees_of_freedom(eff.effect) == 0
else:
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 0
# ... and result in an overspecified model.
assert degrees_of_freedom(m) == -2

Expand Down Expand Up @@ -557,12 +554,12 @@ def test_initialize(self, MEC2_frame):
.is_fixed()
)
linking_constr = getattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)
assert linking_constr.active
assert eff.effect.overall_heat_transfer_coefficient.is_fixed()
assert value(eff.effect.overall_heat_transfer_coefficient) == htc
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 1

@pytest.mark.component
def test_solve(self, MEC2_frame):
Expand Down Expand Up @@ -969,9 +966,6 @@ def test_build(self, MEC3_frame):
assert hasattr(eff.effect, e)
for c in effect_constr:
assert hasattr(eff.effect, c)
assert hasattr(eff.effect, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(eff.effect, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(eff.effect, f"eq_heat_transfer_effect_{n}")
if n == 1:
assert number_variables(eff.effect) == 154
assert number_total_constraints(eff.effect) == 128
Expand All @@ -982,10 +976,13 @@ def test_build(self, MEC3_frame):
assert hasattr(eff.effect, "eq_heating_steam_flow_rate")
if n != 1:
assert number_variables(eff.effect) == 148
assert number_total_constraints(eff.effect) == 126
assert number_unused_variables(eff.effect) == 0
assert number_total_constraints(eff.effect) == 122
assert number_unused_variables(eff.effect) == 4
assert hasattr(m.fs.unit, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_heat_transfer_effect_{n}")
assert hasattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)

assert number_variables(m) == 609
Expand All @@ -1010,10 +1007,7 @@ def test_dof(self, MEC3_frame):
].unfix()
assert degrees_of_freedom(m) == 0
for n, eff in m.fs.unit.effects.items():
if n == 1:
assert degrees_of_freedom(eff.effect) == 0
else:
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 0
m.fs.unit.control_volume.properties_in[0].flow_mass_phase_comp[
"Liq", "H2O"
].fix()
Expand Down Expand Up @@ -1097,12 +1091,12 @@ def test_initialize(self, MEC3_frame):
.is_fixed()
)
linking_constr = getattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)
assert linking_constr.active
assert eff.effect.overall_heat_transfer_coefficient.is_fixed()
assert value(eff.effect.overall_heat_transfer_coefficient) == htc
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 1

@pytest.mark.component
def test_solve(self, MEC3_frame):
Expand Down Expand Up @@ -1512,9 +1506,6 @@ def test_build(self, MEC4_frame):
assert hasattr(eff.effect, e)
for c in effect_constr:
assert hasattr(eff.effect, c)
assert hasattr(eff.effect, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(eff.effect, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(eff.effect, f"eq_heat_transfer_effect_{n}")
if n == 1:
assert number_variables(eff.effect) == 154
assert number_total_constraints(eff.effect) == 128
Expand All @@ -1525,10 +1516,13 @@ def test_build(self, MEC4_frame):
assert hasattr(eff.effect, "eq_heating_steam_flow_rate")
if n != 1:
assert number_variables(eff.effect) == 148
assert number_total_constraints(eff.effect) == 126
assert number_unused_variables(eff.effect) == 0
assert number_total_constraints(eff.effect) == 122
assert number_unused_variables(eff.effect) == 4
assert hasattr(m.fs.unit, f"eq_delta_temperature_inlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_delta_temperature_outlet_effect_{n}")
assert hasattr(m.fs.unit, f"eq_heat_transfer_effect_{n}")
assert hasattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)

assert number_variables(m) == 757
Expand All @@ -1554,10 +1548,7 @@ def test_dof(self, MEC4_frame):
].unfix()
assert degrees_of_freedom(m) == 0
for n, eff in m.fs.unit.effects.items():
if n == 1:
assert degrees_of_freedom(eff.effect) == 0
else:
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 0
m.fs.unit.control_volume.properties_in[0].flow_mass_phase_comp[
"Liq", "H2O"
].fix()
Expand Down Expand Up @@ -1641,12 +1632,12 @@ def test_initialize(self, MEC4_frame):
.is_fixed()
)
linking_constr = getattr(
eff.effect, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
m.fs.unit, f"eq_energy_for_effect_{n}_from_effect_{n - 1}"
)
assert linking_constr.active
assert eff.effect.overall_heat_transfer_coefficient.is_fixed()
assert value(eff.effect.overall_heat_transfer_coefficient) == htc
assert degrees_of_freedom(eff.effect) == 3
assert degrees_of_freedom(eff.effect) == 1

@pytest.mark.component
def test_solve(self, MEC4_frame):
Expand Down
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