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Addressing Demo Flowsheet (Scaling) Failures #1266

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merged 8 commits into from
Oct 16, 2023
Merged

Addressing Demo Flowsheet (Scaling) Failures #1266

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afde76a
Refine some scaling in demo flowsheet
MarcusHolly Sep 8, 2023
3b3ed38
Run black
MarcusHolly Sep 8, 2023
6d703dc
Actually run black
MarcusHolly Sep 8, 2023
994d830
Merge branch 'demo_flowsheet_scaling' of https://github.com/MarcusHol…
bpaul4 Sep 12, 2023
38747e9
Try to add some more scaling, fix zero variable specs
bpaul4 Sep 12, 2023
1420581
remove unused imports
bpaul4 Sep 12, 2023
c931bf1
Clean up files
MarcusHolly Sep 13, 2023
405c5ac
Merge branch 'main' into demo_flowsheet_scaling
bpaul4 Oct 11, 2023
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111 changes: 75 additions & 36 deletions idaes/models/flowsheets/demo_flowsheet.py
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,6 @@
Constructs a basic flowsheet for a benzene-toluene system with a mixer, heater
and flash unit.
"""

from pyomo.environ import ConcreteModel, TransformationFactory
from pyomo.network import Arc

Expand Down Expand Up @@ -57,15 +56,28 @@ def build_flowsheet():

def set_scaling(m):
"""Set scaling for demo flowsheet"""
m.fs.BT_props.set_default_scaling(
"flow_mol_phase_comp", 1e2, index=("Liq", "benzene")

iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].flow_mol_phase, 1e6)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].flow_mol_phase["Liq"], 1e6)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].flow_mol_phase["Vap"], 1)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].mole_frac_phase_comp["Liq", "benzene"], 1
)
m.fs.BT_props.set_default_scaling(
"flow_mol_phase_comp", 1e2, index=("Liq", "toluene")
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].mole_frac_phase_comp["Vap", "benzene"], 1
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].mole_frac_phase_comp["Liq", "toluene"], 1e5
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].mole_frac_phase_comp["Vap", "toluene"], 1e6
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].pressure_sat_comp["benzene"], 1e-5
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].pressure_sat_comp["toluene"], 1e-4
)

iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].mole_frac_comp["benzene"], 1)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].mole_frac_comp["toluene"], 1e4)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].enth_mol_phase_comp["Liq", "benzene"], 1e-4
)
Expand All @@ -78,45 +90,42 @@ def set_scaling(m):
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].enth_mol_phase_comp["Vap", "toluene"], 1e-4
)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_total, 1)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_sum_mol_frac, 1)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_comp["benzene"], 1)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_comp["toluene"], 1)

iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].flow_mol_phase, 1e1)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].flow_mol_phase["Vap"], 1e1)

iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].mole_frac_phase_comp["Liq", "benzene"], 1e5
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].eq_phase_equilibrium["benzene"], 1
m.fs.M01.inlet_2_state[0].mole_frac_phase_comp["Vap", "benzene"], 1e5
)
iscale.set_scaling_factor(
m.fs.M01.inlet_1_state[0].eq_phase_equilibrium["toluene"], 1
m.fs.M01.inlet_2_state[0].mole_frac_phase_comp["Liq", "toluene"], 1
)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].mole_frac_phase_comp["Vap", "toluene"], 1
)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_P_vap["benzene"], 1)
iscale.set_scaling_factor(m.fs.M01.inlet_1_state[0].eq_P_vap["toluene"], 1)

iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].mole_frac_comp["benzene"], 1e4)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].mole_frac_comp["toluene"], 1)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Liq", "benzene"], 1e-4
m.fs.M01.inlet_2_state[0].pressure_sat_comp["benzene"], 1e-6
)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Vap", "benzene"], 1e-4
m.fs.M01.inlet_2_state[0].pressure_sat_comp["toluene"], 1e-6
)

iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Liq", "toluene"], 1e-4
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Liq", "benzene"], 1e-4
)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Vap", "toluene"], 1e-4
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Vap", "benzene"], 1e-4
)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_total, 1)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_sum_mol_frac, 1)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_comp["benzene"], 1)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_comp["toluene"], 1)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].eq_phase_equilibrium["benzene"], 1
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Liq", "toluene"], 1e-4
)
iscale.set_scaling_factor(
m.fs.M01.inlet_2_state[0].eq_phase_equilibrium["toluene"], 1
m.fs.M01.inlet_2_state[0].enth_mol_phase_comp["Vap", "toluene"], 1e-4
)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_P_vap["benzene"], 1)
iscale.set_scaling_factor(m.fs.M01.inlet_2_state[0].eq_P_vap["toluene"], 1)

iscale.set_scaling_factor(
m.fs.M01.mixed_state[0].enth_mol_phase_comp["Liq", "benzene"], 1e-4
Expand All @@ -130,6 +139,7 @@ def set_scaling(m):
iscale.set_scaling_factor(
m.fs.M01.mixed_state[0].enth_mol_phase_comp["Vap", "toluene"], 1e-4
)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].enthalpy_flow_terms["Liq"], 1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].enthalpy_flow_terms["Vap"], 1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].eq_total, 1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].eq_sum_mol_frac, 1)
Expand All @@ -146,24 +156,35 @@ def set_scaling(m):
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].eq_P_vap["toluene"], 1)

iscale.set_scaling_factor(m.fs.M01.mixed_state[0].pressure, 1e-5)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].pressure_sat_comp, 1e-5)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].temperature, 1e-2)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].flow_mol, 1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].flow_mol_phase, 1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].mole_frac_comp["benzene"], 1e1)
iscale.set_scaling_factor(m.fs.M01.mixed_state[0].mole_frac_comp["toluene"], 1e1)

iscale.set_scaling_factor(m.fs.H02.control_volume.heat, 1e-5)
iscale.set_scaling_factor(m.fs.H02.control_volume.properties_in[0].pressure, 1e-5)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].pressure_sat_comp, 1e-5
)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].temperature, 1e-2
)
iscale.set_scaling_factor(m.fs.H02.control_volume.properties_in[0].flow_mol, 1)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].flow_mol_phase, 1
)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].mole_frac_comp["benzene"], 1e1
)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].mole_frac_comp["toluene"], 1e1
)
iscale.set_scaling_factor(m.fs.H02.control_volume.properties_out[0].flow_mol, 1)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_out[0].flow_mol_phase, 1
)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_out[0].mole_frac_comp["benzene"], 1e1
)
Expand All @@ -174,6 +195,9 @@ def set_scaling(m):
m.fs.H02.control_volume.properties_out[0].temperature, 1e-2
)
iscale.set_scaling_factor(m.fs.H02.control_volume.properties_out[0].pressure, 1e-5)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_out[0].pressure_sat_comp, 1e-5
)
iscale.set_scaling_factor(
m.fs.H02.control_volume.properties_in[0].enth_mol_phase_comp["Liq", "benzene"],
1e-4,
Expand Down Expand Up @@ -287,10 +311,24 @@ def set_scaling(m):

iscale.set_scaling_factor(m.fs.F03.control_volume.heat, 1)
iscale.set_scaling_factor(m.fs.F03.control_volume.properties_in[0].pressure, 1e-5)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_in[0].pressure_sat_comp, 1e-5
)
iscale.set_scaling_factor(m.fs.F03.control_volume.properties_out[0].pressure, 1e-5)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_out[0].pressure_sat_comp, 1e-5
)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_in[0].temperature, 1e-2
)
iscale.set_scaling_factor(m.fs.F03.control_volume.properties_in[0].flow_mol, 1)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_in[0].flow_mol_phase, 1
)
iscale.set_scaling_factor(m.fs.F03.control_volume.properties_out[0].flow_mol, 1)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_out[0].flow_mol_phase, 1
)
iscale.set_scaling_factor(
m.fs.F03.control_volume.properties_in[0].mole_frac_comp["benzene"], 1e1
)
Expand Down Expand Up @@ -415,22 +453,23 @@ def set_scaling(m):

def set_dof(m):
"""Set degrees of freedom for demo flowsheet"""
eps = 1e-5
m.fs.M01.inlet_1.flow_mol.fix(1.0)
m.fs.M01.inlet_1.mole_frac_comp[:, "benzene"].fix(1)
m.fs.M01.inlet_1.mole_frac_comp[:, "toluene"].fix(1e-5)
m.fs.M01.inlet_1.mole_frac_comp[:, "benzene"].fix(1 - eps)
m.fs.M01.inlet_1.mole_frac_comp[:, "toluene"].fix(eps)
m.fs.M01.inlet_1.pressure.fix(101325)
m.fs.M01.inlet_1.temperature.fix(370)

m.fs.M01.inlet_2.flow_mol.fix(1.0)
m.fs.M01.inlet_2.mole_frac_comp[:, "benzene"].fix(1e-5)
m.fs.M01.inlet_2.mole_frac_comp[:, "toluene"].fix(1)
m.fs.M01.inlet_2.mole_frac_comp[:, "benzene"].fix(eps)
m.fs.M01.inlet_2.mole_frac_comp[:, "toluene"].fix(1 - eps)
m.fs.M01.inlet_2.pressure.fix(1.3e5)
m.fs.M01.inlet_2.temperature.fix(380)

m.fs.H02.outlet.temperature[0].fix(370)

m.fs.F03.heat_duty.fix(0)
m.fs.F03.deltaP.fix(0)
m.fs.F03.heat_duty.fix(1e-6)
m.fs.F03.deltaP.fix(1e-6)


def initialize_flowsheet(m):
Expand Down
8 changes: 7 additions & 1 deletion idaes/models/flowsheets/tests/test_demo_flowsheet.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@
from idaes.models.flowsheets.demo_flowsheet import (
build_flowsheet,
set_dof,
set_scaling,
initialize_flowsheet,
solve_flowsheet,
)
Expand Down Expand Up @@ -59,6 +60,11 @@ def test_build_flowsheet(model):
assert degrees_of_freedom(model) == 13


@pytest.mark.unit
def test_set_scaling(model):
set_scaling(model)


@pytest.mark.unit
def test_set_dof(model):
set_dof(model)
Expand Down Expand Up @@ -95,7 +101,7 @@ def test_solve_flowsheet(model):
0.5, 1e-4
)
assert model.fs.M01.outlet.pressure[0].value == pytest.approx(101325, 1e-4)
assert model.fs.M01.outlet.temperature[0].value == pytest.approx(368.2, 1e-4)
assert model.fs.M01.outlet.temperature[0].value == pytest.approx(368.12, 1e-4)

assert model.fs.H02.outlet.flow_mol[0].value == pytest.approx(2.0, 1e-4)
assert model.fs.H02.outlet.mole_frac_comp[0, "benzene"].value == pytest.approx(
Expand Down
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