Gas Liquid Contactor

glc.py

@@ -0,0 +1,145 @@
+import pathsim
+from pathsim import Simulation, Connection
+import numpy as np
+import matplotlib.pyplot as plt
+import pathview
+
+# Create global variables
+import numpy as np
+
+c_T_inlet = 3.09e-2  # mol/m^3 (c_T(L+)), Inlet tritium concentration in liquid just before inlet
+y_T2_in = 0.0  # Inlet tritium molar fraction in gas (0 = pure purge gas)
+P_0 = 5e5  # Pa, Gas total pressure at inlet
+ρ_l = 9000  # kg/m^3, Liquid density
+K_s = 2e-6  # Tritium Sievert's constant in liquid
+
+L = 3.0  # m, Height of the bubble column
+D = 0.5  # m, Column diameter
+ε_g = 0.04  # Gas phase fraction
+
+Q_l = 0.01  # m^3/s, Volumetric flow rate of liquid phase
+Q_g = 0.0005  # m^3/s, Volumetric flow rate of gas phase at inlet
+
+a = 20  # m^-1, Specific liquid-gas interfacial area
+
+E_g = 0.05  # m^2/s, Effective axial dispersion coefficient, gas phase
+E_l = 0.01  # m^2/s, Effective axial dispersion coefficient, liquid phase
+
+h_l = 1e-4  # m/s, Mass transfer coefficient, tritium liquid - gas
+
+g = 9.81  # m/s^2, Gravitational acceleration
+
+# Calculated parameters
+ε_l = 1 - ε_g  # Liquid phase fraction
+
+A = np.pi * (D / 2) ** 2  # m^2, Cross-sectional area of the column
+A_l = A * ε_l  # m^2, Cross-sectional area of the liquid phase
+A_g = A * ε_g  # m^2, Cross-sectional area of the gas phase
+
+u_l = Q_l / A_l  # m/s, superficial liquid inlet velocity (positive for downward flow)
+u_g0 = Q_g / A_g  # m/s, gas inlet velocity (positive for upward flow)
+R = 8.314
+T = 623
+N_A = 6.0221408e23
+
+# Create blocks
+blocks, events = [], []
+
+p_t2_inlet_5 = pathsim.blocks.sources.Constant(value=y_T2_in)
+blocks.append(p_t2_inlet_5)
+
+blanket_6 = pathview.custom_pathsim_blocks.Process(
+    residence_time=2, initial_value=1, source_term=0
+)
+blocks.append(blanket_6)
+
+storage_7 = pathview.custom_pathsim_blocks.Process(residence_time=0, source_term=0)
+blocks.append(storage_7)
+
+to_concentration_14 = pathsim.blocks.amplifier.Amplifier(gain=Q_l**-1)
+blocks.append(to_concentration_14)
+
+inventories_16 = pathsim.blocks.scope.Scope(
+    labels=["blanket (inv)", "storage (inv)", "adder 20"]
+)
+blocks.append(inventories_16)
+
+all_t_flow_rates_18 = pathsim.blocks.scope.Scope(labels=["blanket (mass_flow_rate)"])
+blocks.append(all_t_flow_rates_18)
+
+adder_20_20 = pathsim.blocks.adder.Adder()
+blocks.append(adder_20_20)
+
+glc_21_21 = pathview.custom_pathsim_blocks.GLC(
+    P_outlet=5e5,
+    L=L,
+    u_l=u_l,
+    u_g0=u_g0,
+    ε_g=ε_g,
+    ε_l=ε_l,
+    E_g=E_g,
+    E_l=E_l,
+    a=a,
+    h_l=h_l,
+    ρ_l=ρ_l,
+    K_s=K_s,
+    Q_l=Q_l,
+    Q_g=Q_g,
+    D=D,
+    T=T,
+    initial_nb_of_elements=20,
+)
+blocks.append(glc_21_21)
+
+
+# Create events
+
+
+# Create connections
+
+connections = [
+    Connection(blanket_6["mass_flow_rate"], to_concentration_14[0]),
+    Connection(blanket_6["inv"], inventories_16[0]),
+    Connection(storage_7["inv"], inventories_16[1]),
+    Connection(blanket_6["mass_flow_rate"], all_t_flow_rates_18[0]),
+    Connection(blanket_6["inv"], adder_20_20[0]),
+    Connection(storage_7["inv"], adder_20_20[1]),
+    Connection(adder_20_20[0], inventories_16[2]),
+    Connection(to_concentration_14[0], glc_21_21["c_T_inlet"]),
+    Connection(p_t2_inlet_5[0], glc_21_21["y_T2_in"]),
+    Connection(glc_21_21["T_out_gas"], storage_7[0]),
+    Connection(glc_21_21["T_out_liquid"], blanket_6[0]),
+]
+
+# Create simulation
+my_simulation = Simulation(
+    blocks,
+    connections,
+    events=events,
+    Solver=pathsim.solvers.SSPRK22,
+    dt=1,
+    dt_min=1e-16,
+    iterations_max=200,
+    log=True,
+    tolerance_fpi=1e-10,
+    **{},
+)
+
+if __name__ == "__main__":
+    my_simulation.run(200)
+
+    # Optional: Plotting results
+    scopes = [block for block in blocks if isinstance(block, pathsim.blocks.Scope)]
+    fig, axs = plt.subplots(
+        nrows=len(scopes), sharex=True, figsize=(10, 5 * len(scopes))
+    )
+    for i, scope in enumerate(scopes):
+        plt.sca(axs[i] if len(scopes) > 1 else axs)
+        time, data = scope.read()
+        # plot the recorded data
+        for p, d in enumerate(data):
+            lb = scope.labels[p] if p < len(scope.labels) else f"port {p}"
+            plt.plot(time, d, label=lb)
+        plt.legend()
+    plt.xlabel("Time")
+    plt.show()

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 requires-python = ">=3.8"
 dependencies = [
     "pathsim>=0.8.2",
-    "pathsim-chem",
+    "pathsim-chem@git+https://github.com/pathsim/pathsim-chem@glc",
     "matplotlib>=3.7.0",
     "numpy>=1.24.0",
     "plotly>=6.0",

src/components/nodes/BubblerNode.jsx

@@ -20,29 +20,29 @@ export default function BubblerNode({ data }) {
 
       {/* Labels for sample in handles */}
 
-      <div style={{ 
-        position: 'absolute', 
-        left: '2px', 
-        bottom: '20%', 
+      <div style={{
+        position: 'absolute',
+        left: '2px',
+        bottom: '20%',
         fontSize: '12px',
         fontWeight: 'bold',
         textAlign: 'right'
       }}>
         Sample in
       </div>
-      <div style={{ 
-        position: 'absolute', 
-        left: '6px', 
-        top: '29%', 
+      <div style={{
+        position: 'absolute',
+        left: '6px',
+        top: '29%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>
         soluble
       </div>
-      <div style={{ 
-        position: 'absolute', 
-        left: '6px', 
-        top: '62%', 
+      <div style={{
+        position: 'absolute',
+        left: '6px',
+        top: '62%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>
@@ -52,52 +52,52 @@ export default function BubblerNode({ data }) {
       <Handle type="target" id="sample_in_soluble" position="left" style={{ background: '#555', top: '33%' }} />
       <Handle type="target" id="sample_in_insoluble" position="left" style={{ background: '#555', top: '66%' }} />
 
-      <div style={{ 
-        position: 'absolute', 
-        top: '6px', 
-        left: '6%', 
+      <div style={{
+        position: 'absolute',
+        top: '6px',
+        left: '6%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>
         Vials 1
       </div>
-      <div style={{ 
-        position: 'absolute', 
-        top: '6px', 
-        left: '38%', 
+      <div style={{
+        position: 'absolute',
+        top: '6px',
+        left: '38%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>2</div>
 
-      <div style={{ 
-        position: 'absolute', 
-        top: '6px', 
-        left: '58%', 
+      <div style={{
+        position: 'absolute',
+        top: '6px',
+        left: '58%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>
         3
       </div>
-      <div style={{ 
-        position: 'absolute', 
-        top: '6px', 
-        left: '78%', 
+      <div style={{
+        position: 'absolute',
+        top: '6px',
+        left: '78%',
         fontSize: '12px',
         fontWeight: 'normal',
       }}>
         4
       </div>
 
-      <Handle type="source" id="vial1" position="top" style={{ background: '#555', left: '20%'}} />
+      <Handle type="source" id="vial1" position="top" style={{ background: '#555', left: '20%' }} />
       <Handle type="source" id="vial2" position="top" style={{ background: '#555', left: '40%' }} />
       <Handle type="source" id="vial3" position="top" style={{ background: '#555', left: '60%' }} />
       <Handle type="source" id="vial4" position="top" style={{ background: '#555', left: '80%' }} />
 
 
-      <div style={{ 
-        position: 'absolute', 
-        right: '6px', 
-        bottom: '50%', 
+      <div style={{
+        position: 'absolute',
+        right: '6px',
+        bottom: '50%',
         fontSize: '12px',
         fontWeight: 'normal',
         textAlign: 'right'