working with a couple of feed vars and model options

idaes/models_extra/temperature_swing_adsorption/fixed_bed_tsa0d_ui.py

@@ -14,11 +14,143 @@
 """
 UI exports for 0D Fixed Bed TSA unit model.
 """
-from .fixed_bed_tsa0d import FixedBedTSA0D as Model
-# from idaes.core.ui import fsapi as w -- the world according to dang
-from watertap.ui import fsapi as w
+from watertap.ui import fsapi as api
+from pyomo.environ import ConcreteModel, units
+from idaes.core.solvers import get_solver
+from idaes.core import FlowsheetBlock
+from idaes.models_extra.temperature_swing_adsorption import (
+    FixedBedTSA0D,
+    Adsorbent,
+    FixedBedTSA0DInitializer,
+    SteamCalculationType,
+    TransformationScheme,
+)
 
+desc = """The Fixed Bed TSA0d model is implemented as a Temperature Swing Adsorption
+(TSA) cycle. The model is an 0D equilibrium-based shortcut model. The model
+assumes local adsorption equilibrium and takes into account heat transfer
+mechanisms but neglects mass transfer resistances.""".replace(
+    "\n", " "
+)
 
-def export_to_ui() -> w.FlowsheetInterface:
+unit_name = "FixedBedTSA0D"
+
+
+def export_to_ui() -> api.FlowsheetInterface:
+    fsi = api.FlowsheetInterface(
+        name="0D Fixed Bed TSA",
+        description=desc,
+        do_export=export,
+        do_build=build,
+        do_solve=solve,
+        build_options={
+            "adsorbent": {
+                "name": "Adsorbent",
+                "display_name": "Adsorbent material",
+                "values_allowed": [
+                    "zeolite_13x",
+                    "mmen_mg_mof_74",
+                    "polystyrene_amine",
+                ],
+                "value": "zeolite_13x",
+                "category": unit_name,
+            },
+            "number_of_beds": {
+                "name": "number_of_beds",
+                "display_name": "Number of beds",
+                "description": "Number of beds in fixed bed TSA system used to split the mole flow rate at feed",
+                "min_val": 1,
+                "max_val": 100000,
+                "value": 120,
+                "values_allowed": "int",
+                "category": unit_name,
+            },
+        },
+    )
     # TO-DO: The wrapper
-    return None
+    return fsi
+
+
+def build(build_options=None, **kwargs):
+    unit_opt = {k: v for k, v in build_options.items() if v.category == unit_name}
+    m = ConcreteModel()
+    m.fs = FlowsheetBlock(dynamic=False)
+    m.fs.unit = FixedBedTSA0D(
+        adsorbent=Adsorbent[unit_opt["adsorbent"].value],
+        number_of_beds=unit_opt["number_of_beds"].value,
+        transformation_method="dae.collocation",
+        transformation_scheme=TransformationScheme.lagrangeRadau,
+        finite_elements=20,
+        collocation_points=6,
+        compressor=False,
+        steam_calculation=SteamCalculationType.none,
+    )
+
+    m.fs.unit.inlet.flow_mol_comp[0, "H2O"].fix(0)
+    m.fs.unit.inlet.flow_mol_comp[0, "CO2"].fix(40)
+    m.fs.unit.inlet.flow_mol_comp[0, "N2"].fix(99960)
+    m.fs.unit.inlet.flow_mol_comp[0, "O2"].fix(0)
+    m.fs.unit.inlet.temperature.fix(303.15)
+    m.fs.unit.inlet.pressure.fix(100000)
+
+    m.fs.unit.temperature_desorption.fix(470)
+    m.fs.unit.temperature_adsorption.fix(310)
+    m.fs.unit.temperature_heating.fix(500)
+    m.fs.unit.temperature_cooling.fix(300)
+    m.fs.unit.bed_diameter.fix(4)
+    m.fs.unit.bed_height.fix(8)
+
+    return m
+
+
+def export(flowsheet=None, exports=None, build_options=None, **kwargs):
+    fs = flowsheet
+    # Feeds
+    for compound in "H2O", "CO2", "N2", "O2":
+        exports.add(
+            obj=fs.unit.inlet.flow_mol_comp[0, compound],
+            name=f"{compound} molar flow rate",
+            ui_units=units.mole / units.s,
+            display_units="mol/s",
+            rounding=2,
+            description=f"Inlet molar flow rate for {compound}",
+            is_input=True,
+            input_category="Feed",
+            is_output=False,
+        )
+    exports.add(
+        obj=fs.unit.inlet.temperature[0],
+        name="Temperature",
+        ui_units=units.K,
+        display_units="K",
+        is_input=True,
+        input_category="Feed",
+    )
+    exports.add(
+        obj=fs.unit.inlet.pressure[0],
+        name="Pressure",
+        ui_units=units.bar,
+        display_units="bar",
+        is_input=True,
+        input_category="Feed",
+    )
+    # TODO: export all the variables
+    # Parameters
+    # Products
+
+
+def initialize(fs, **kwargs):
+    """Initialize the model."""
+    initializer = FixedBedTSA0DInitializer()
+    initializer.initialize(fs.unit, heating_time_guess=70000, cooling_time_guess=110000)
+
+
+solver = get_solver()
+
+
+def solve(flowsheet=None, **kwargs):
+    """Solve the model."""
+    fs = flowsheet
+    initialize(fs)  # XXX: skip when do_initialize is in FlowsheetInterface ctor
+    results = solver.solve(fs.model())
+    return results

idaes/models_extra/temperature_swing_adsorption/tests/test_fixed_bed_tsa0d_ui.py

@@ -1,7 +1,17 @@
 import pytest
-from ..fixed_bed_tsa0d_ui import export_to_ui
+from pyomo.environ import check_optimal_termination
+from ..fixed_bed_tsa0d_ui import export_to_ui, build
+
 
 @pytest.mark.component
 def test_export():
     ui = export_to_ui()
     assert ui is not None
+
+
+@pytest.mark.component
+def test_solve_base():
+    ui = export_to_ui()
+    ui.build(build_options=ui.fs_exp.build_options)
+    r = ui.solve()
+    assert check_optimal_termination(r)