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increase test coverage
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@dallan-keylogic
dallan-keylogic committed Jan 31, 2025
1 parent dc4d231 commit 9b9bdfa
Showing 1 changed file with 146 additions and 65 deletions.
211 changes: 146 additions & 65 deletions idaes/models/properties/modular_properties/phase_equil/tests/test_smooth_VLE_2.py
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Original file line number Diff line number Diff line change
Expand Up @@ -345,79 +345,160 @@ def test_calculate_ceos_derivative_slacks(frame):
assert value(gn["Vap"]) == pytest.approx(EPS_INIT, abs=1e-8)


@pytest.fixture()
def H2O_H2_model():
m = ConcreteModel()

# Create a dummy parameter block
m.params = GenericParameterBlock(
components={
"H2O": {
"parameter_data": {
"pressure_crit": (220.6e5, pyunits.Pa),
"temperature_crit": (647, pyunits.K),
"omega": 0.344,
"pressure_sat_comp_coeff": { # NIST <- Stull 1947
"A": 4.6543,
"B": 1435.264,
"C": -64.848,
class TestWithNonCondensable:
# TODO These tests could be fleshed out
@pytest.fixture()
def H2O_H2_model(self):
m = ConcreteModel()

# Create a dummy parameter block
m.params = GenericParameterBlock(
components={
"H2O": {
"parameter_data": {
"pressure_crit": (220.6e5, pyunits.Pa),
"temperature_crit": (647, pyunits.K),
"omega": 0.344,
"pressure_sat_comp_coeff": { # NIST <- Stull 1947
"A": 4.6543,
"B": 1435.264,
"C": -64.848,
},
},
"pressure_sat_comp": NIST,
"phase_equilibrium_form": {("Vap", "Liq"): fugacity},
},
"H2": {
"valid_phase_types": [PhaseType.vaporPhase],
"parameter_data": {
"pressure_crit": (13e5, pyunits.Pa),
"temperature_crit": (33.2, pyunits.K),
"omega": -0.218,
},
},
"pressure_sat_comp": NIST,
"phase_equilibrium_form": {("Vap", "Liq"): fugacity},
},
"H2": {
"valid_phase_types": [PhaseType.vaporPhase],
"parameter_data": {
"pressure_crit": (13e5, pyunits.Pa),
"temperature_crit": (33.2, pyunits.K),
"omega": -0.218,
phases={
"Liq": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
},
"Vap": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
},
},
},
phases={
"Liq": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
state_definition=FTPx,
pressure_ref=100000.0,
temperature_ref=300,
base_units={
"time": pyunits.s,
"length": pyunits.m,
"mass": pyunits.kg,
"amount": pyunits.mol,
"temperature": pyunits.K,
},
"Vap": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
phases_in_equilibrium=[("Vap", "Liq")],
phase_equilibrium_state={("Vap", "Liq"): CubicComplementarityVLE},
parameter_data={
"PR_kappa": {
("H2O", "H2O"): 0.000,
("H2", "H2O"): 0.000,
("H2O", "H2"): 0.000,
("H2", "H2"): 0.000,
}
},
},
state_definition=FTPx,
pressure_ref=100000.0,
temperature_ref=300,
base_units={
"time": pyunits.s,
"length": pyunits.m,
"mass": pyunits.kg,
"amount": pyunits.mol,
"temperature": pyunits.K,
},
phases_in_equilibrium=[("Vap", "Liq")],
phase_equilibrium_state={("Vap", "Liq"): CubicComplementarityVLE},
parameter_data={
"PR_kappa": {
("H2O", "H2O"): 0.000,
("H2", "H2O"): 0.000,
("H2O", "H2"): 0.000,
("H2", "H2"): 0.000,
}
},
)
)

# Create a dummy state block
m.props = m.params.state_block_class([1], parameters=m.params)
# Create a dummy state block
m.props = m.params.state_block_class([1], parameters=m.params)

return m
return m

@pytest.mark.unit
def test_calculate_teq_permanent_gas(self, H2O_H2_model):
m = H2O_H2_model
m.props[1].pressure.set_value(1e5)
m.props[1].temperature.set_value(300)
CubicComplementarityVLE.calculate_teq(m.props[1], ("Vap", "Liq"))
assert not m.props[1].is_property_constructed("temperature_dew")
assert not m.props[1].is_property_constructed("temperature_bubble")


class TestWithNonVolatile:
# TODO These tests could be fleshed out
@pytest.fixture()
def H2O_TEG_model(self):
m = ConcreteModel()

# Create a dummy parameter block
m.params = GenericParameterBlock(
components={
"H2O": {
"parameter_data": {
"pressure_crit": (220.6e5, pyunits.Pa),
"temperature_crit": (647, pyunits.K),
"omega": 0.344,
"pressure_sat_comp_coeff": { # NIST <- Stull 1947
"A": 4.6543,
"B": 1435.264,
"C": -64.848,
},
},
"pressure_sat_comp": NIST,
"phase_equilibrium_form": {("Vap", "Liq"): fugacity},
},
"TEG": { # Triethylene Glycol
"valid_phase_types": [PhaseType.liquidPhase],
# Values from WolframAlpha
"parameter_data": {
"pressure_crit": (3.3e6, pyunits.Pa),
"temperature_crit": (797, pyunits.K),
"omega": 0.51,
},
},
},
phases={
"Liq": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
},
"Vap": {
"equation_of_state": Cubic,
"equation_of_state_options": {"type": CubicType.PR},
},
},
state_definition=FTPx,
pressure_ref=100000.0,
temperature_ref=300,
base_units={
"time": pyunits.s,
"length": pyunits.m,
"mass": pyunits.kg,
"amount": pyunits.mol,
"temperature": pyunits.K,
},
phases_in_equilibrium=[("Vap", "Liq")],
phase_equilibrium_state={("Vap", "Liq"): CubicComplementarityVLE},
parameter_data={
"PR_kappa": {
("H2O", "H2O"): 0.000,
("TEG", "H2O"): 0.000,
("H2O", "TEG"): 0.000,
("TEG", "TEG"): 0.000,
}
},
)

# Create a dummy state block
m.props = m.params.state_block_class([1], parameters=m.params)

@pytest.mark.unit
def test_calculate_teq_permanent_gas(H2O_H2_model):
m = H2O_H2_model
m.props[1].pressure.set_value(1e5)
m.props[1].temperature.set_value(300)
CubicComplementarityVLE.calculate_teq(m.props[1], ("Vap", "Liq"))
assert not m.props[1].is_property_constructed("temperature_dew")
assert not m.props[1].is_property_constructed("temperature_bubble")
return m

@pytest.mark.unit
def test_calculate_teq_permanent_gas(self, H2O_TEG_model):
m = H2O_TEG_model
m.props[1].pressure.set_value(1e5)
m.props[1].temperature.set_value(300)
CubicComplementarityVLE.calculate_teq(m.props[1], ("Vap", "Liq"))
assert not m.props[1].is_property_constructed("temperature_dew")
assert not m.props[1].is_property_constructed("temperature_bubble")

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