Add new Complementarity formualtion for VLE with cubic EoSs

idaes/models/properties/modular_properties/base/generic_property.py

@@ -13,6 +13,9 @@
 """
 Framework for generic property packages
 """
+# TODO: Pylint complains about variables with _x names as they are built by sub-classes
+# pylint: disable=protected-access
+
 # Import Pyomo libraries
 from pyomo.environ import (
     Block,
@@ -880,13 +883,10 @@ def build(self):
                 if build_parameters is not None:
                     try:
                         build_parameters(pobj)
-                    except KeyError:
+                    except KeyError as err:
                         raise ConfigurationError(
-                            "{} values were not defined for parameter {} in "
-                            "phase {}. Please check the parameter_data "
-                            "argument to ensure values are provided.".format(
-                                self.name, a, p
-                            )
+                            f"{self.name} - values were not defined for parameter {a} in "
+                            f"phase {p}. {str(err)}"
                         )
 
         # Next, add inherent reactions if they exist
@@ -1334,19 +1334,19 @@ def initialization_routine(
 
             # Bubble temperature initialization
             if hasattr(k, "_mole_frac_tbub"):
-                model._init_Tbub(k, T_units)
+                _init_Tbub(k, T_units)
 
             # Dew temperature initialization
             if hasattr(k, "_mole_frac_tdew"):
-                model._init_Tdew(k, T_units)
+                _init_Tdew(k, T_units)
 
             # Bubble pressure initialization
             if hasattr(k, "_mole_frac_pbub"):
-                model._init_Pbub(k, T_units)
+                _init_Pbub(k)
 
             # Dew pressure initialization
             if hasattr(k, "_mole_frac_pdew"):
-                model._init_Pdew(k, T_units)
+                _init_Pdew(k)
 
             # Solve bubble, dew, and critical point constraints
             for c in k.component_objects(Constraint):
@@ -2097,9 +2097,13 @@ def build(self):
         ):
 
             t_units = self.params.get_metadata().default_units.TEMPERATURE
+            if self.temperature.value is not None:
+                t_value = value(self.temperature)
+            else:
+                t_value = None
             self._teq = Var(
                 self.params._pe_pairs,
-                initialize=value(self.temperature),
+                initialize=t_value,
                 doc="Temperature for calculating phase equilibrium",
                 units=t_units,
             )

idaes/models/properties/modular_properties/base/tests/test_generic_property.py

@@ -42,6 +42,8 @@
 )
 from idaes.core.util.exceptions import ConfigurationError, PropertyPackageError
 from idaes.models.properties.modular_properties.phase_equil.henry import HenryType
+from idaes.models.properties.modular_properties.eos.ceos import Cubic, CubicType
+from idaes.models.properties.modular_properties.state_definitions import FTPx
 from idaes.core.base.property_meta import UnitSet
 from idaes.core.initialization import BlockTriangularizationInitializer
 
@@ -1955,3 +1957,54 @@ def build_critical_properties(b, *args, **kwargs):
             "Component declarations.",
         ):
             _initialize_critical_props(m.props[1])
+
+
+# Invalid property configuration to trigger configuration error
+configuration = {
+    # Specifying components
+    "components": {
+        "H2O": {
+            "type": Component,
+            "parameter_data": {
+                "pressure_crit": (220.6e5, pyunits.Pa),
+                "temperature_crit": (647, pyunits.K),
+                "omega": 0.344,
+            },
+        },
+    },
+    # Specifying phases
+    "phases": {
+        "Liq": {
+            "type": LiquidPhase,
+            "equation_of_state": Cubic,
+            "equation_of_state_options": {"type": CubicType.PR},
+        },
+        "Vap": {
+            "type": VaporPhase,
+            "equation_of_state": Cubic,
+            "equation_of_state_options": {"type": CubicType.PR},
+        },
+    },
+    # Set base units of measurement
+    "base_units": {
+        "time": pyunits.s,
+        "length": pyunits.m,
+        "mass": pyunits.kg,
+        "amount": pyunits.mol,
+        "temperature": pyunits.K,
+    },
+    # Specifying state definition
+    "state_definition": FTPx,
+    "state_bounds": {
+        "flow_mol": (0, 100, 1000, pyunits.mol / pyunits.s),
+        "temperature": (273.15, 300, 500, pyunits.K),
+        "pressure": (5e4, 1e5, 1e6, pyunits.Pa),
+    },
+    "pressure_ref": (101325, pyunits.Pa),
+    "temperature_ref": (298.15, pyunits.K),
+    "parameter_data": {
+        "PR_kappa": {
+            ("foo", "bar"): 0.000,
+        }
+    },
+}

idaes/models/properties/modular_properties/base/tests/test_generic_property_integration.py

@@ -217,6 +217,7 @@ def test_heater_w_inherent_rxns_comp_phase(self, frame):
             rel=1e-5,
         )
 
+        frame.fs.H101.outlet.mole_frac_comp.display()
         assert value(frame.fs.H101.outlet.mole_frac_comp[0, "a"]) == pytest.approx(
             1 / 6, rel=1e-5
         )