working implementation in UI

watertap-org · Mar 4, 2024 · 6c80edd · 6c80edd
1 parent 43d3655
commit 6c80edd
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Showing 3 changed files with 39 additions and 10 deletions.
diff --git a/watertap/examples/flowsheets/gac/gac.py b/watertap/examples/flowsheets/gac/gac.py
@@ -39,7 +39,7 @@ def main():
 
     # example usage
     m = build(
-        material_flow_basis="mass",
+        material_flow_basis="molar",
         film_transfer_coefficient_type="calculated",
         surface_diffusion_coefficient_type="calculated",
         diffusivity_calculation="HaydukLaudie",
@@ -59,8 +59,7 @@ def build(
     diffusivity_calculation="none",
     cost_contactor_type="pressure",
 ):
-    # TODO: mass or mole basis
-    #       surrogates to replace empirical parameters
+    # TODO: surrogates to replace empirical parameters
     #       autoscaling, check robustness of solve over sweeps
     #       build only supports string (Option.value.name) and not Option.value from import
 

diff --git a/watertap/examples/flowsheets/gac/gac_ui.py b/watertap/examples/flowsheets/gac/gac_ui.py
@@ -45,7 +45,9 @@ def export_to_ui():
             "MaterialFlowBasis": {
                 "name": "FilmTransferCoefficientType",
                 "display_name": "Material Flow Basis",
-                "values_allowed": [x.name for x in MaterialFlowBasis],
+                "values_allowed": [
+                    x.name for x in [MaterialFlowBasis.molar, MaterialFlowBasis.mass]
+                ],
                 "value": MaterialFlowBasis.molar.name,
             },
             "FilmTransferCoefficientType": {
@@ -177,14 +179,20 @@ def export_variables(flowsheet=None, exports=None, build_options=None, **kwargs)
         is_output=True,
         output_category=category,
     )
+    if build_options["MaterialFlowBasis"].value == "molar":
+        fix_molar = True
+        fix_mass = False
+    else:
+        fix_molar = False
+        fix_mass = True
     exports.add(
         obj=fs.feed.properties[0].flow_mol_phase_comp["Liq", "H2O"],
         name="Molar flow rate water",
         ui_units=pyunits.mol / pyunits.s,
         display_units="mol/s",
         rounding=rounding,
         description="Feed molar flow rate of water",
-        is_input=True,
+        is_input=fix_molar,
         input_category=category,
         is_output=True,
         output_category=category,
@@ -196,7 +204,31 @@ def export_variables(flowsheet=None, exports=None, build_options=None, **kwargs)
         display_units="mol/s",
         rounding=rounding,
         description="Feed molar flow rate of solute",
-        is_input=True,
+        is_input=fix_molar,
+        input_category=category,
+        is_output=True,
+        output_category=category,
+    )
+    exports.add(
+        obj=fs.feed.properties[0].flow_mass_phase_comp["Liq", "H2O"],
+        name="Mass flow rate water",
+        ui_units=pyunits.kg / pyunits.s,
+        display_units="kg/s",
+        rounding=rounding,
+        description="Feed mass flow rate of water",
+        is_input=fix_mass,
+        input_category=category,
+        is_output=True,
+        output_category=category,
+    )
+    exports.add(
+        obj=fs.feed.properties[0].flow_mass_phase_comp["Liq", solute_name],
+        name="Mass flow rate solute",
+        ui_units=pyunits.kg / pyunits.s,
+        display_units="kg/s",
+        rounding=rounding,
+        description="Feed mass flow rate of solute",
+        is_input=fix_mass,
         input_category=category,
         is_output=True,
         output_category=category,
@@ -795,6 +827,7 @@ def build_flowsheet(build_options=None, **kwargs):
 
     if build_options is not None:
         m = gac_fs.build(
+            material_flow_basis=build_options["MaterialFlowBasis"].value,
             film_transfer_coefficient_type=build_options[
                 "FilmTransferCoefficientType"
             ].value,

diff --git a/watertap/examples/flowsheets/gac/tests/test_gac.py b/watertap/examples/flowsheets/gac/tests/test_gac.py
@@ -75,8 +75,7 @@ def test_solve(self, gac_frame):
     def test_build_solve_options(self):
 
         # test build and solve at initial conditions for all config options
-        for flow_basis in MaterialFlowBasis:
-            print(flow_basis.name)
+        for flow_basis in [MaterialFlowBasis.molar, MaterialFlowBasis.mass]:
             for film_option in FilmTransferCoefficientType:
                 for surface_option in SurfaceDiffusionCoefficientType:
                     for diffus_option in DiffusivityCalculation:
@@ -92,8 +91,6 @@ def test_build_solve_options(self):
                             gac_fs.initialize(m)
                             res = gac_fs.optimize(m)
 
-                            m.fs.gac.operational_time.display()
-
                             assert_units_consistent(m)
                             assert degrees_of_freedom(m) == 0
                             assert_optimal_termination(res)