fixing bug in FixedBedTSA tests (#1295)

Co-authored-by: Alex Noring <[email protected]> Co-authored-by: Ludovico Bianchi <[email protected]> Co-authored-by: Andrew Lee <[email protected]>
IDAES · Dec 7, 2023 · edc8416 · edc8416
1 parent 3e9b43c
commit edc8416
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Showing 3 changed files with 45 additions and 15 deletions.
diff --git a/idaes/models_extra/temperature_swing_adsorption/fixed_bed_tsa0d.py b/idaes/models_extra/temperature_swing_adsorption/fixed_bed_tsa0d.py
@@ -1167,29 +1167,35 @@ def pressure_n2_rich_stream_eq(b, t):
         self.flow_mol_h2o_o2_stream = Var(
             self.flowsheet().time,
             self.component_list - self.isotherm_components,
+            initialize=1,
             units=units.mol / units.s,
             doc="Component mole flow rate at H2O+O2 stream",
         )
         self.temperature_h2o_o2_stream = Var(
-            self.flowsheet().time, units=units.K, doc="Temperature at H2O+O2 stream"
+            self.flowsheet().time,
+            initialize=300,
+            units=units.K,
+            doc="Temperature at H2O+O2 stream",
         )
         self.pressure_h2o_o2_stream = Var(
-            self.flowsheet().time, units=units.Pa, doc="Pressure at H2O+O2 stream"
+            self.flowsheet().time,
+            initialize=101325,
+            units=units.Pa,
+            doc="Pressure at H2O+O2 stream",
         )
 
-        # create empty port
-        p = Port(noruleinit=True, doc="Outlet port for H2O+O2 stream")
-        # add port object as an attribute to model
-        setattr(self, "h2o_o2_stream", p)
         # dictionary containing state of outlet h2o_o2_stream
         h2o_o2_stream_dict = {
             "flow_mol_comp": self.flow_mol_h2o_o2_stream,
             "temperature": self.temperature_h2o_o2_stream,
             "pressure": self.pressure_h2o_o2_stream,
         }
-        # populate port and map names to actual variables as defined
-        for key, item in h2o_o2_stream_dict.items():
-            p.add(item, name=key)
+        # create port
+        self.h2o_o2_stream = Port(
+            noruleinit=True,
+            initialize=h2o_o2_stream_dict,
+            doc="Outlet port for H2O+O2 stream",
+        )
 
         # add constraints to populate h2o_o2_stream
         @self.Constraint(
@@ -1632,7 +1638,9 @@ def _add_pressurization_step(self):
             units=units.dimensionless,
             doc="Mole fraction in pressurization step",
         )
-        self.pressurization.time = Var(units=units.s, doc="Time of pressurization step")
+        self.pressurization.time = Var(
+            initialize=1e2, units=units.s, doc="Time of pressurization step"
+        )
         self.pressurization.loading = Var(
             self.isotherm_components,
             units=units.mol / units.kg,
@@ -1758,7 +1766,9 @@ def _add_adsorption_step(self):
         self.adsorption = SkeletonUnitModel()
 
         # variables
-        self.adsorption.time = Var(units=units.s, doc="Time of adsorption step")
+        self.adsorption.time = Var(
+            initialize=1e2, units=units.s, doc="Time of adsorption step"
+        )
         self.adsorption.loading = Var(
             self.isotherm_components,
             units=units.mol / units.kg,
@@ -2843,7 +2853,7 @@ def _get_stream_table_contents(self, time_point=0):
             "Inlet": "inlet",
             "CO2 Rich Stream": "co2_rich_stream",
             "N2 Rich Stream": "n2_rich_stream",
-            "H20 Stream": "h2o_o2_stream",
+            "H2O Stream": "h2o_o2_stream",
         }.items():
             port_obj = getattr(self, v)
 

diff --git a/idaes/models_extra/temperature_swing_adsorption/tests/test_fixed_bed_tsa0d.py b/idaes/models_extra/temperature_swing_adsorption/tests/test_fixed_bed_tsa0d.py
@@ -17,6 +17,7 @@
 __author__ = "Alex Noring"
 
 import pytest
+import numpy as np
 
 from pyomo.environ import (
     check_optimal_termination,
@@ -161,11 +162,28 @@ def test_solution(self, model):
         # air velocity
         assert pytest.approx(2.44178, abs=1e-3) == value(model.fs.unit.velocity_in)
 
-    @pytest.mark.ui
     @pytest.mark.unit
     def test_report(self, model):
-        model.fs.unit.report()
-        tsa_summary(model.fs.unit)
+        stream_table_df = model.fs.unit._get_stream_table_contents()
+        expected_columns = ["Inlet", "CO2 Rich Stream", "N2 Rich Stream", "H2O Stream"]
+        for column in expected_columns:
+            assert column in stream_table_df.columns
+            assert not np.isnan(stream_table_df[column]["temperature"])
+            assert not np.isnan(stream_table_df[column]["pressure"])
+
+        performance_dict = model.fs.unit._get_performance_contents()
+        for k in performance_dict["vars"]:
+            assert performance_dict["vars"][k] is not None
+
+    @pytest.mark.unit
+    def test_summary(self, model):
+        summary_df = tsa_summary(model.fs.unit)
+        assert "Adsorption temperature [K]" in summary_df.index
+        assert "Cycle time [h]" in summary_df.index
+        assert "Pressure drop [Pa]" in summary_df.index
+
+    @pytest.mark.unit
+    def test_plotting(self, model):
         plot_tsa_profiles(model.fs.unit)
 
 

diff --git a/idaes/models_extra/temperature_swing_adsorption/util.py b/idaes/models_extra/temperature_swing_adsorption/util.py
@@ -63,6 +63,8 @@ def tsa_summary(tsa, stream=stdout, export=False):
     stream.write(textwrap.indent(stream_table_dataframe_to_string(df), " " * 4))
     stream.write("\n" + "=" * 84 + "\n")
 
+    return df
+
 
 def plot_tsa_profiles(tsa):
     """