def NRTL_model(data):
"""This function generates an instance of the NRTL Pyomo model using 'data' as the input argument
Parameters
----------
data: pandas DataFrame, list of dictionaries, or list of json file names
Data that is used to build an instance of the Pyomo model
Returns
-------
m: an instance of the Pyomo model
for estimating parameters and covariance
"""
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.properties = BTXParameterBlock(default={
"valid_phase": ('Liq', 'Vap'),
"activity_coeff_model": 'NRTL'
})
m.fs.flash = Flash(default={"property_package": m.fs.properties})
# Initialize at a certain inlet condition
m.fs.flash.inlet.flow_mol.fix(1)
m.fs.flash.inlet.temperature.fix(368)
m.fs.flash.inlet.pressure.fix(101325)
m.fs.flash.inlet.mole_frac_comp[0, "benzene"].fix(0.5)
m.fs.flash.inlet.mole_frac_comp[0, "toluene"].fix(0.5)
# Set Flash unit specifications
m.fs.flash.heat_duty.fix(0)
m.fs.flash.deltaP.fix(0)
# Fix NRTL specific variables
# alpha values (set at 0.3)
m.fs.properties.alpha["benzene", "benzene"].fix(0)
m.fs.properties.alpha["benzene", "toluene"].fix(0.3)
m.fs.properties.alpha["toluene", "toluene"].fix(0)
m.fs.properties.alpha["toluene", "benzene"].fix(0.3)
# initial tau values
m.fs.properties.tau["benzene", "benzene"].fix(0)
m.fs.properties.tau["benzene", "toluene"].fix(0.1690)
m.fs.properties.tau["toluene", "toluene"].fix(0)
m.fs.properties.tau["toluene", "benzene"].fix(-0.1559)
# Initialize the flash unit
m.fs.flash.initialize(outlvl=idaeslog.INFO_LOW)
# Fix at actual temperature
m.fs.flash.inlet.temperature.fix(float(data["temperature"]))
# Set bounds on variables to be estimated
m.fs.properties.tau["benzene", "toluene"].setlb(-5)
m.fs.properties.tau["benzene", "toluene"].setub(5)
m.fs.properties.tau["toluene", "benzene"].setlb(-5)
m.fs.properties.tau["toluene", "benzene"].setub(5)
# Return initialized flash model
return m
def model(self):
model = ConcreteModel()
model.fs = FlowsheetBlock(default={"dynamic": False})
model.fs.param = GenericParameterBlock(default=configuration)
model.fs.unit = Flash(
default={
"property_package": model.fs.param,
"has_heat_transfer": False,
"has_pressure_change": False
})
# Fix state
model.fs.unit.inlet.flow_mol.fix(1)
model.fs.unit.inlet.temperature.fix(200.00)
model.fs.unit.inlet.pressure.fix(101325)
model.fs.unit.inlet.mole_frac_comp[0, "carbon_dioxide"].fix(1 / 2)
model.fs.unit.inlet.mole_frac_comp[0, "bmimPF6"].fix(1 / 2)
assert degrees_of_freedom(model.fs) == 0
# Apply scaling - model will not solver without this
model.fs.unit.control_volume.properties_in[
0].calculate_scaling_factors()
model.fs.unit.control_volume.properties_out[
0].calculate_scaling_factors()
return model
def model():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": True})
m.fs.params = PropertyInterrogatorBlock()
m.fs.P01 = PressureChanger(
default={
"property_package": m.fs.params,
"thermodynamic_assumption": ThermodynamicAssumption.isentropic
})
m.fs.HX02 = HeatExchanger1D(
default={
"shell_side": {
"property_package": m.fs.params
},
"tube_side": {
"property_package": m.fs.params
}
})
m.fs.F03 = Flash(default={"property_package": m.fs.params})
return m
def NRTL_model_opt():
"""This function generates an instance of the NRTL Pyomo model
Returns
-------
m: an instance of the Pyomo model
for uncertainty propagation
"""
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.properties = BTXParameterBlock(default={"valid_phase":
('Liq', 'Vap'),
"activity_coeff_model":
'NRTL'})
m.fs.flash = Flash(default={"property_package": m.fs.properties})
# Initialize at a certain inlet condition
m.fs.flash.inlet.flow_mol.fix(1)
m.fs.flash.inlet.temperature.fix(368)
m.fs.flash.inlet.pressure.fix(101325)
m.fs.flash.inlet.mole_frac_comp[0, "benzene"].fix(0.5)
m.fs.flash.inlet.mole_frac_comp[0, "toluene"].fix(0.5)
# Set Flash unit specifications
m.fs.flash.heat_duty.fix(0)
m.fs.flash.deltaP.fix(0)
# Fix NRTL specific variables
# alpha values (set at 0.3)
m.fs.properties.alpha["benzene", "benzene"].fix(0)
m.fs.properties.alpha["benzene", "toluene"].fix(0.3)
m.fs.properties.alpha["toluene", "toluene"].fix(0)
m.fs.properties.alpha["toluene", "benzene"].fix(0.3)
# initial tau values
m.fs.properties.tau["benzene", "benzene"].fix(0)
m.fs.properties.tau["benzene", "toluene"].fix(0.1690)
m.fs.properties.tau["toluene", "toluene"].fix(0)
m.fs.properties.tau["toluene", "benzene"].fix(-0.1559)
# Initialize the flash unit
m.fs.flash.initialize(outlvl=idaeslog.INFO_LOW)
# Fix at actual temperature
m.fs.flash.inlet.temperature.fix(float(368))
# Set bounds on variables to be estimated
m.fs.properties.tau["benzene", "toluene"].setlb(-5)
m.fs.properties.tau["benzene", "toluene"].setub(5)
m.fs.properties.tau["toluene", "benzene"].setlb(-5)
m.fs.properties.tau["toluene", "benzene"].setub(5)
# To use kaug
# objective function required
# need to unfix the variables
m.obj = Objective(expr = 0*m.fs.properties.tau["benzene","toluene"] + exp(-m.fs.properties.alpha['toluene','benzene'].value * m.fs.properties.tau['toluene','benzene']), sense=minimize)
m.fs.properties.tau["benzene", "toluene"].fixed = False # To use kaug
m.fs.properties.tau["toluene", "benzene"].fixed = False
return m
def flash_model():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.properties = PhysicalParameterTestBlock()#default={"valid_phase":
# ('Liq', 'Vap')})
m.fs.flash = Flash(default={"property_package": m.fs.properties})
return m
def test_unit_dof(self, model):
model.fs.unit = Flash(
default={
"property_package": model.fs.param,
"has_heat_transfer": False,
"has_pressure_change": False
})
# Fix state
model.fs.unit.inlet.flow_mol.fix(1)
model.fs.unit.inlet.temperature.fix(200.00)
model.fs.unit.inlet.pressure.fix(101325)
model.fs.unit.inlet.mole_frac_comp[0, "carbon_dioxide"].fix(1 / 2)
model.fs.unit.inlet.mole_frac_comp[0, "bmimPF6"].fix(1 / 2)
assert degrees_of_freedom(model.fs.unit) == 0
def demo_flowsheet():
"""Semi-complicated demonstration flowsheet.
"""
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.BT_props = BTXParameterBlock()
m.fs.M01 = Mixer(default={"property_package": m.fs.BT_props})
m.fs.H02 = Heater(default={"property_package": m.fs.BT_props})
m.fs.F03 = Flash(default={"property_package": m.fs.BT_props})
m.fs.s01 = Arc(source=m.fs.M01.outlet, destination=m.fs.H02.inlet)
m.fs.s02 = Arc(source=m.fs.H02.outlet, destination=m.fs.F03.inlet)
TransformationFactory("network.expand_arcs").apply_to(m.fs)
m.fs.properties = SWCO2ParameterBlock()
m.fs.main_compressor = PressureChanger(
default={'dynamic': False,
'property_package': m.fs.properties,
'compressor': True,
'thermodynamic_assumption': ThermodynamicAssumption.isentropic})
m.fs.bypass_compressor = PressureChanger(
default={'dynamic': False,
'property_package': m.fs.properties,
'compressor': True,
'thermodynamic_assumption': ThermodynamicAssumption.isentropic})
m.fs.turbine = PressureChanger(
default={'dynamic': False,
'property_package': m.fs.properties,
'compressor': False,
'thermodynamic_assumption': ThermodynamicAssumption.isentropic})
m.fs.boiler = Heater(default={'dynamic': False,
'property_package': m.fs.properties,
'has_pressure_change': True})
m.fs.FG_cooler = Heater(default={'dynamic': False,
'property_package': m.fs.properties,
'has_pressure_change': True})
m.fs.pre_boiler = Heater(default={'dynamic': False,
'property_package': m.fs.properties,
'has_pressure_change': False})
m.fs.HTR_pseudo_tube = Heater(default={'dynamic': False,
'property_package': m.fs.properties,
'has_pressure_change': True})
m.fs.LTR_pseudo_tube = Heater(default={'dynamic': False,
'property_package': m.fs.properties,
'has_pressure_change': True})
return m.fs
def flash_flowsheet():
# Model and flowsheet
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Flash properties
m.fs.properties = BTXParameterBlock(default={"valid_phase": ('Liq', 'Vap'),
"activity_coeff_model": "Ideal",
"state_vars": "FTPz"})
# Flash unit
m.fs.flash = Flash(default={"property_package": m.fs.properties})
m.fs.flash.inlet.flow_mol.fix(1)
m.fs.flash.inlet.temperature.fix(368)
m.fs.flash.inlet.pressure.fix(101325)
m.fs.flash.inlet.mole_frac_comp[0, "benzene"].fix(0.5)
m.fs.flash.inlet.mole_frac_comp[0, "toluene"].fix(0.5)
m.fs.flash.heat_duty.fix(0)
m.fs.flash.deltaP.fix(0)
return m.fs
def build_flowsheet():
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.BT_props = BTXParameterBlock()
m.fs.M01 = Mixer(default={"property_package": m.fs.BT_props})
m.fs.H02 = Heater(default={"property_package": m.fs.BT_props})
m.fs.F03 = Flash(default={"property_package": m.fs.BT_props})
m.fs.s01 = Arc(source=m.fs.M01.outlet, destination=m.fs.H02.inlet)
m.fs.s02 = Arc(source=m.fs.H02.outlet, destination=m.fs.F03.inlet)
TransformationFactory("network.expand_arcs").apply_to(m.fs)
return m
def flash_model():
"""Flash unit model. Use '.fs' attribute to get the flowsheet."""
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
# Flash properties
m.fs.properties = BTXParameterBlock(
default={
"valid_phase": ("Liq", "Vap"),
"activity_coeff_model": "Ideal",
"state_vars": "FTPz",
})
# Flash unit
m.fs.flash = Flash(default={"property_package": m.fs.properties})
m.fs.flash.inlet.flow_mol.fix(1)
m.fs.flash.inlet.temperature.fix(368)
m.fs.flash.inlet.pressure.fix(101325)
m.fs.flash.inlet.mole_frac_comp[0, "benzene"].fix(0.5)
m.fs.flash.inlet.mole_frac_comp[0, "toluene"].fix(0.5)
m.fs.flash.heat_duty.fix(0)
m.fs.flash.deltaP.fix(0)
return m
def test_serialize_flowsheet():
# Construct the model from idaes/examples/workshops/Module_2_Flowsheet/Module_2_Flowsheet_Solution.ipynb
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.thermo_params = thermo_props.HDAParameterBlock()
m.fs.reaction_params = reaction_props.HDAReactionParameterBlock(
default={"property_package": m.fs.thermo_params})
m.fs.M101 = Mixer(
default={
"property_package": m.fs.thermo_params,
"inlet_list": ["toluene_feed", "hydrogen_feed", "vapor_recycle"]
})
m.fs.H101 = Heater(
default={
"property_package": m.fs.thermo_params,
"has_pressure_change": False,
"has_phase_equilibrium": True
})
m.fs.R101 = StoichiometricReactor(
default={
"property_package": m.fs.thermo_params,
"reaction_package": m.fs.reaction_params,
"has_heat_of_reaction": True,
"has_heat_transfer": True,
"has_pressure_change": False
})
m.fs.F101 = Flash(
default={
"property_package": m.fs.thermo_params,
"has_heat_transfer": True,
"has_pressure_change": True
})
m.fs.S101 = Splitter(
default={
"property_package": m.fs.thermo_params,
"ideal_separation": False,
"outlet_list": ["purge", "recycle"]
})
m.fs.C101 = PressureChanger(
default={
"property_package": m.fs.thermo_params,
"compressor": True,
"thermodynamic_assumption": ThermodynamicAssumption.isothermal
})
m.fs.F102 = Flash(
default={
"property_package": m.fs.thermo_params,
"has_heat_transfer": True,
"has_pressure_change": True
})
m.fs.s03 = Arc(source=m.fs.M101.outlet, destination=m.fs.H101.inlet)
m.fs.s04 = Arc(source=m.fs.H101.outlet, destination=m.fs.R101.inlet)
m.fs.s05 = Arc(source=m.fs.R101.outlet, destination=m.fs.F101.inlet)
m.fs.s06 = Arc(source=m.fs.F101.vap_outlet, destination=m.fs.S101.inlet)
m.fs.s08 = Arc(source=m.fs.S101.recycle, destination=m.fs.C101.inlet)
m.fs.s09 = Arc(source=m.fs.C101.outlet,
destination=m.fs.M101.vapor_recycle)
m.fs.s10 = Arc(source=m.fs.F101.liq_outlet, destination=m.fs.F102.inlet)
fss = FlowsheetSerializer()
fss.serialize_flowsheet(m.fs)
unit_models = fss.get_unit_models()
unit_model_names_types = []
for unit_model in unit_models:
unit_model_names_types.append(unit_models[unit_model])
unit_models_names_type_truth = [{
'name': 'M101',
'type': 'mixer'
}, {
'name': 'H101',
'type': 'heater'
}, {
'name': 'R101',
'type': 'stoichiometric_reactor'
}, {
'name': 'F101',
'type': 'flash'
}, {
'name': 'S101',
'type': 'separator'
}, {
'name': 'C101',
'type': 'pressure_changer'
}, {
'name': 'F102',
'type': 'flash'
}]
set_result = set(tuple(sorted(d.items())) for d in unit_model_names_types)
set_truth = set(
tuple(sorted(d.items())) for d in unit_models_names_type_truth)
difference = list(set_truth.symmetric_difference(set_result))
assert len(difference) == 0
# TODO Figure out how to test ports. Maybe find out if we can find the parent component for the port?
# ports = fss.get_ports()
# assert ports == {"<pyomo.network.port.SimplePort object at 0x7fe8d0d79278>": "<idaes.core.process_block._ScalarMixer object at 0x7fe8d0d60360>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d792e8>": "<idaes.core.process_block._ScalarMixer object at 0x7fe8d0d60360>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79358>": "<idaes.core.process_block._ScalarMixer object at 0x7fe8d0d60360>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d793c8>": "<idaes.core.process_block._ScalarMixer object at 0x7fe8d0d60360>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d797b8>": "<idaes.core.process_block._ScalarHeater object at 0x7fe8d0db74c8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79828>": "<idaes.core.process_block._ScalarHeater object at 0x7fe8d0db74c8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79a58>": "<idaes.core.process_block._ScalarStoichiometricReactor object at 0x7fe8d0de2ab0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79ac8>": "<idaes.core.process_block._ScalarStoichiometricReactor object at 0x7fe8d0de2ab0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79eb8>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41128>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41198>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0d79f98>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41048>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e410b8>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8d0e0fdc8>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41278>": "<idaes.core.process_block._ScalarSeparator object at 0x7fe8d0e45708>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41588>": "<idaes.core.process_block._ScalarSeparator object at 0x7fe8d0e45708>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e415f8>": "<idaes.core.process_block._ScalarSeparator object at 0x7fe8d0e45708>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41828>": "<idaes.core.process_block._ScalarPressureChanger object at 0x7fe8d0e686c0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41898>": "<idaes.core.process_block._ScalarPressureChanger object at 0x7fe8d0e686c0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41c88>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41eb8>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41f28>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41e48>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41dd8>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>",
# "<pyomo.network.port.SimplePort object at 0x7fe8d0e41d68>": "<idaes.core.process_block._ScalarFlash object at 0x7fe8e1405cf0>"
# }
named_edges_results = {}
edges = fss.get_edges()
for edge in edges:
named_edges_results[edge.getname()] = [
x.getname() for x in edges[edge]
]
named_edges_truth = {
'M101': ['H101'],
'H101': ['R101'],
'R101': ['F101'],
'F101': ['S101', 'F102'],
'S101': ['C101'],
'C101': ['M101']
}
assert named_edges_results == named_edges_truth
def test_temp_swing(self):
# Create a flash model with the CO2-H2O property package
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.properties = GenericParameterBlock(default=configuration)
m.fs.flash = Flash(default={"property_package": m.fs.properties})
# Fix inlet stream state variables
m.fs.flash.inlet.flow_mol.fix(9.89433124673833) # mol/s
m.fs.flash.inlet.mole_frac_comp[0, 'CO2'].fix(0.13805801934749645)
m.fs.flash.inlet.mole_frac_comp[0, 'H2O'].fix(0.8619419806525035)
m.fs.flash.inlet.pressure.fix(183430) # Pa
m.fs.flash.inlet.temperature.fix(396.79057912844183) # K
# Fix flash and its outlet conditions
m.fs.flash.deltaP.fix(0)
m.fs.flash.vap_outlet.temperature.fix(313.15)
# Initialize the flash model
m.fs.flash.initialize()
# Create a dictionary of expected solution for flash outlet temperature
# sweep
temp_range = list(np.linspace(313, 396))
expected_vapor_frac = [
0.14388, 0.14445, 0.14508, 0.14576, 0.1465, 0.14731, 0.14818,
0.14913, 0.15017, 0.15129, 0.15251, 0.15384, 0.15528, 0.15685,
0.15856, 0.16042, 0.16245, 0.16467, 0.16709, 0.16974, 0.17265,
0.17584, 0.17935, 0.18323, 0.18751, 0.19226, 0.19755, 0.20346,
0.21008, 0.21755, 0.22601, 0.23565, 0.24673, 0.25956, 0.27456,
0.29229, 0.31354, 0.33942, 0.37157, 0.4125, 0.46628, 0.53993,
0.64678, 0.81547, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0
]
expected_heat_duty = [
-396276.55508, -394859.42896, -393421.28226, -391960.40602,
-390474.94512, -388962.88119, -387422.01297, -385849.93371,
-384244.00483, -382601.32549, -380918.69691, -379192.58068,
-377419.04976, -375593.73054, -373711.73419, -371767.57480,
-369755.07135, -367667.22968, -365496.09940, -363232.59958,
-360866.30485, -358385.18097, -355775.25563, -353020.20490,
-350100.82935, -346994.38367, -343673.70980, -340106.10300,
-336251.80960, -332062.00898, -327476.06061, -322417.68382,
-316789.55435, -310465.49473, -303278.90949, -295005.17406,
-285333.93764, -273823.89005, -259825.51107, -242341.82570,
-219760.16114, -189290.02362, -145647.55666, -77469.59283,
-3219.88910, -2631.66067, -2043.09220, -1454.17760, -864.91585,
-275.30623
]
outvals = zip(expected_vapor_frac, expected_heat_duty)
expected_sol = dict(zip(temp_range, outvals))
# Solve the model for a range of flash outlet temperatures
# Perform flash outlet temperature sweep and test the solution
for t in temp_range:
m.fs.flash.vap_outlet.temperature.fix(t)
res = solver.solve(m)
assert res.solver.termination_condition == "optimal"
frac = value(m.fs.flash.vap_outlet.flow_mol[0]) \
/ value(m.fs.flash.inlet.flow_mol[0])
assert frac == pytest.approx(expected_sol[t][0], abs=1e-4)
hduty = value(m.fs.flash.heat_duty[0])
assert hduty == pytest.approx(expected_sol[t][1], rel=1e-4)
def test_temp_swing(self):
# Create a flash model with the CO2-H2O property package
m = ConcreteModel()
m.fs = FlowsheetBlock(default={"dynamic": False})
m.fs.properties = GenericParameterBlock(default=configuration)
m.fs.flash = Flash(default={"property_package": m.fs.properties})
# Fix inlet stream state variables
m.fs.flash.inlet.flow_mol.fix(9.89433124673833) # mol/s
m.fs.flash.inlet.mole_frac_comp[0, 'CO2'].fix(0.13805801934749645)
m.fs.flash.inlet.mole_frac_comp[0, 'H2O'].fix(0.8619419806525035)
m.fs.flash.inlet.pressure.fix(183430) # Pa
m.fs.flash.inlet.temperature.fix(396.79057912844183) # K
# Fix flash and its outlet conditions
m.fs.flash.deltaP.fix(0)
m.fs.flash.vap_outlet.temperature.fix(313.15)
#Initialize the flash model
initial = m.fs.flash.initialize(outlvl=0)
# Create a dictionary of expected solution for flash outlet temperature
#sweep
temp_range = list(np.linspace(313, 396))
expected_vapor_frac = [
0.14388, 0.14445, 0.14508, 0.14576, 0.1465, 0.14731, 0.14818,
0.14913, 0.15017, 0.15129, 0.15251, 0.15384, 0.15528, 0.15685,
0.15856, 0.16042, 0.16245, 0.16467, 0.16709, 0.16974, 0.17265,
0.17584, 0.17935, 0.18323, 0.18751, 0.19226, 0.19755, 0.20346,
0.21008, 0.21755, 0.22601, 0.23565, 0.24673, 0.25956, 0.27456,
0.29229, 0.31354, 0.33942, 0.37157, 0.4125, 0.46628, 0.53993,
0.64678, 0.81547, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0
]
expected_heat_duty = [
-319572.91269, -318207.35249, -316825.31456, -315425.46452,
-314006.35514, -312566.41317, -311103.92414, -309617.01485,
-308103.633, -306561.52359, -304988.20138, -303380.91855,
-301736.62677, -300051.9324, -298323.04327, -296545.70535,
-294715.12686, -292825.88683, -290871.8244, -288845.90382,
-286740.04885, -284544.93807, -282249.74995, -279841.84278,
-277306.349, -274625.65625, -271778.73623, -268740.26687,
-265479.46928, -261958.54546, -258130.54709, -253936.4179,
-249300.81058, -244126.04073, -238283.13381, -231598.19109,
-223830.94744, -214639.75318, -203521.76902, -189705.16711,
-171941.46564, -148070.35054, -114001.22402, -60937.07508,
-3219.88715, -2631.66029, -2043.09203, -1454.17752, -864.91582,
-275.30623
]
outvals = zip(expected_vapor_frac, expected_heat_duty)
expected_sol = dict(zip(temp_range, outvals))
# Solve the model for a range of flash outlet temperatures
# Perform flash outlet temperature sweep and test the solution
for t in temp_range:
m.fs.flash.vap_outlet.temperature.fix(t)
res = solver.solve(m)
assert res.solver.termination_condition == "optimal"
frac = value(m.fs.flash.vap_outlet.flow_mol[0]) \
/value(m.fs.flash.inlet.flow_mol[0])
assert frac == pytest.approx(expected_sol[t][0], abs=1e-4)
hduty = value(m.fs.flash.heat_duty[0])
assert hduty == pytest.approx(expected_sol[t][1], abs=1e-4)
