Add Uloop validation case + dynamic and static mixer implementations

.github/workflows/ci.yml

@@ -82,14 +82,15 @@ jobs:
           environment-name: test-env
           create-args: >-
             python=${{ matrix.python-version }}
+            paraview=6.1
+            hdf5=1.14
           channels: conda-forge
           channel-priority: strict
           cache-downloads: true
           cache-env: true
 
       - name: Install dependencies
         run: |
-          micromamba install --yes -n test-env -c conda-forge paraview
           pip install --upgrade pip
           pip install --upgrade nox
           pip install .[tests] 
@@ -147,14 +148,15 @@ jobs:
           environment-name: test-env
           create-args: >-
             python=${{ matrix.python-version }}
+            paraview=6.1
+            hdf5=1.14
           channels: conda-forge
           channel-priority: strict
           cache-downloads: true
           cache-env: true
 
       - name: Install dependencies
         run: |
-          micromamba install --yes -n test-env -c conda-forge paraview
           pip install --upgrade pip
           pip install --upgrade nox
           pip install nlr-bird[tests]
@@ -189,14 +191,15 @@ jobs:
           environment-name: test-env
           create-args: >-
             python=${{ matrix.python-version }}
+            paraview=6.1
+            hdf5=1.14
           channels: conda-forge
           channel-priority: strict
           cache-downloads: true
           cache-env: true
 
       - name: Install dependencies
         run: |
-          micromamba install --yes -n test-env -c conda-forge paraview
           pip install --upgrade pip
           pip install .
 
@@ -218,6 +221,18 @@ jobs:
         run: |
           cd experimental_cases/OF9/deckwer19
           bash run.sh 
+      - name: Run Uloop Exp1
+        run: |
+          cd experimental_cases/OF9/uloop_valadbeigy_exp1
+          bash run.sh 
+      - name: Run Uloop Exp2
+        run: |
+          cd experimental_cases/OF9/uloop_valadbeigy_exp2
+          bash run.sh 
+      - name: Run Uloop Exp3
+        run: |
+          cd experimental_cases/OF9/uloop_valadbeigy_exp3
+          bash run.sh 
       - name: Run side sparger tutorial
         run: |
           cd tutorial_cases/OF9/side_sparger
@@ -237,7 +252,15 @@ jobs:
       - name: Run mixing loop reactor tutorial
         run: |
           cd tutorial_cases/OF9/loop_reactor_mixing
-          bash run.sh 
+          bash run.sh
+      - name: Run mixing loop reactor with swirl tutorial
+        run: |
+          cd tutorial_cases/OF9/loop_reactor_mixing_swirl
+          bash run.sh
+      - name: Run mixing loop reactor with static mixer tutorial
+        run: |
+          cd tutorial_cases/OF9/loop_reactor_mixing_static
+          bash run.sh
       - name: Run airlift reactor tutorial
         run: |
           cd tutorial_cases/OF9/airlift_40m
@@ -274,14 +297,15 @@ jobs:
           environment-name: test-env
           create-args: >-
             python=${{ matrix.python-version }}
+            paraview=6.1
+            hdf5=1.14
           channels: conda-forge
           channel-priority: strict
           cache-downloads: true
           cache-env: true
 
       - name: Install dependencies
         run: |
-          micromamba install --yes -n test-env -c conda-forge paraview
           pip install --upgrade pip
           pip install .
 

bird/preprocess/data_case_gen/loop_reactor_pbe_dynmix_nonstat_headbranch_scaleup/computeQOI.sh

@@ -2,8 +2,8 @@ if [ ! -f qoi.txt ]; then
     # Reconstruct if needed
     source /projects/gas2fuels/ofoam_cray_mpich/OpenFOAM-dev/etc/bashrc
     reconstructPar -newTimes
-    module load anaconda3/2023
-    conda activate /projects/gas2fuels/conda_env/bird
+    module load conda
+    conda activate /projects/gas2fuels/conda_env/bird_mixer/
     python read_history.py -cr .. -cn local -df data
     python get_qoi.py
     conda deactivate

bird/preprocess/data_case_gen/loop_reactor_pbe_dynmix_nonstat_headbranch_scaleup/get_qoi.py

@@ -89,7 +89,7 @@ def get_lh(verb=False):
 
 
 def get_pinj(vvm, Vl, As, lh):
-    rhog = 1.25  # kg /m3
+    rhog = 0.593333  # kg /m3
     Vg = Vl * vvm / (60 * As * 1)  # m/s
     Ptank = 101325  # Pa
     # Ptank = 0 # Pa
@@ -116,21 +116,30 @@ def get_qoi(kla_co2, cs_co2, kla_h2, cs_h2, verb=False):
     P_inj = get_pinj(vvm, V_l, As, liqh)
     P_mix = get_pmix(verb)
 
-    qoi_co2 = kla_co2 * cs_co2 * V_l * 0.04401 / (P_mix / 3600 + P_inj / 3600)
-    qoi_h2 = kla_h2 * cs_h2 * V_l * 0.002016 / (P_mix / 3600 + P_inj / 3600)
-    return qoi_co2 * qoi_h2
+    qoi_kla_co2 = kla_co2 * cs_co2 * V_l * 0.04401
+    qoi_kla_h2 = kla_h2 * cs_h2 * V_l * 0.002016
+
+    qoi_co2 = qoi_kla_co2 / (P_mix / 3600 + P_inj / 3600)
+    qoi_h2 = qoi_kla_h2 / (P_mix / 3600 + P_inj / 3600)
+    return qoi_co2 * qoi_h2, qoi_kla_co2 * qoi_kla_h2
 
 
 def get_qoi_uq(kla_co2, cs_co2, kla_h2, cs_h2):
     qoi = []
+    qoi_kla = []
     for i in range(len(kla_co2)):
         if i == 0:
             verb = True
         else:
             verb = False
-        qoi.append(get_qoi(kla_co2[i], cs_co2[i], kla_h2[i], cs_h2[i], verb))
+        qoi_tmp, qoi_kla_tmp = get_qoi(
+            kla_co2[i], cs_co2[i], kla_h2[i], cs_h2[i], verb
+        )
+        qoi.append(qoi_tmp)
+        qoi_kla.append(qoi_kla_tmp)
     qoi = np.array(qoi)
-    return np.mean(qoi), np.std(qoi)
+    qoi_kla = np.array(qoi_kla)
+    return np.mean(qoi), np.std(qoi), np.mean(qoi_kla), np.std(qoi_kla)
 
 
 os.makedirs("Figures", exist_ok=True)
@@ -139,8 +148,8 @@ def get_qoi_uq(kla_co2, cs_co2, kla_h2, cs_h2):
 fold = "local"
 
 nuq = 100
-mean_cstar_co2 = np.random.uniform(14, 16.9, nuq)
-mean_cstar_h2 = np.random.uniform(1.04, 1.19, nuq)
+mean_cstar_co2 = np.random.uniform(7.68, 8.22, nuq)
+mean_cstar_h2 = np.random.uniform(0.516, 0.548, nuq)
 
 
 tmp_cs_h2 = []
@@ -176,8 +185,12 @@ def get_qoi_uq(kla_co2, cs_co2, kla_h2, cs_h2):
         tmp_cs_h2.append(cs_h2[i])
         tmp_cs_co2.append(cs_co2[i])
 
-qoi_m, qoi_s = get_qoi_uq(tmp_kla_co2, tmp_cs_co2, tmp_kla_h2, tmp_cs_h2)
+qoi_m, qoi_s, qoi_kla_m, qoi_kla_s = get_qoi_uq(
+    tmp_kla_co2, tmp_cs_co2, tmp_kla_h2, tmp_cs_h2
+)
 
 
 with open("qoi.txt", "w+") as f:
     f.write(f"{qoi_m},{qoi_s}\n")
+with open("qoi_kla.txt", "w+") as f:
+    f.write(f"{qoi_kla_m},{qoi_kla_s}\n")

bird/preprocess/data_case_gen/loop_reactor_pbe_dynmix_nonstat_headbranch_scaleup/presteps.sh

@@ -1,6 +1,7 @@
 # Clean case
 module load conda
-conda activate /projects/gas2fuels/conda_env/bird_wf
+#conda activate /projects/gas2fuels/conda_env/bird_wf
+conda activate /projects/gas2fuels/conda_env/bird_mixer
 source /projects/gas2fuels/ofoam_cray_mpich/OpenFOAM-dev/etc/bashrc
 ./Allclean
 

bird/preprocess/data_case_gen/loop_reactor_pbe_dynmix_nonstat_headbranch_scaleup/writeGlobalVars.py

@@ -31,11 +31,8 @@ def readInletArea():
 
 
 def getLiqVol():
-    cell_centers, _ = read_cell_centers(".")
     volume_field, _ = read_cell_volumes(".")
-    alpha_field = _readOFScal(
-        os.path.join("0", "alpha.liquid"), len(cell_centers)
-    )["field"]
+    alpha_field, _ = read_field(".", "0", field_name="alpha.liquid")
     return np.sum(volume_field * alpha_field)