processforge 0.3.11__tar.gz → 0.3.13__tar.gz

{processforge-0.3.11/src/processforge.egg-info → processforge-0.3.13}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.3.11
+Version: 0.3.13
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Processforge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause
@@ -28,6 +28,7 @@ Requires-Dist: jsonschema>=4.20
 Requires-Dist: graphviz>=0.20
 Requires-Dist: pandas>=2.2
 Requires-Dist: zarr>=3.0
+Requires-Dist: pint<1.0,>=0.24
 Requires-Dist: coolprop>=7.2.0
 Requires-Dist: typer>=0.12
 Provides-Extra: api
@@ -48,8 +49,6 @@ Provides-Extra: cantera
 Requires-Dist: cantera>=3.0; extra == "cantera"
 Provides-Extra: coolprop
 Requires-Dist: coolprop>=6.6; extra == "coolprop"
-Provides-Extra: pcl
-Requires-Dist: pint>=0.24; extra == "pcl"
 Provides-Extra: dev
 Requires-Dist: pytest>=7.0; extra == "dev"
 Requires-Dist: black; extra == "dev"

processforge-0.3.13/flowsheets/custom/crimson/MUWS_HB.json

@@ -0,0 +1,216 @@
+{
+  "metadata": {
+    "name": "Make-up Water System",
+    "description": "A two-pump, five-valve, one-strainer, one tank steady-state make-up water system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Water": {
+      "id": 1
+    },
+    "Steel": {
+      "id": 2
+    }
+  },
+   "streams": {
+    "feed": {
+      "T": 313.00,
+      "P": 101325,
+      "flowrate": 1,
+      "z": { "Water": 1.0 }
+    }
+   },
+   
+   "units": {
+
+    "tank_1": {
+      "type": "Tank",
+      "in": ["feed", "recycle_to_tank"],
+      "out": "after_tank_1",
+      "outlet_flow": 1.0,
+      "initial_n": {
+        "Benzene": 9.0,
+        "Toluene": 1.0
+      },
+      "initial_T": 298.15,
+      "P": 101325,
+      "duty": 0.0,
+      "material": 1
+    },
+     
+  "pipe_1": {
+      "type": "Pipes",
+      "in": "after_tank_1",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },    
+    "global_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_1",
+       "out": "after_global_valve_1",
+       "opening": 50,
+       "pressure_ratio": 0.5,
+       "q_flowrate": 50,
+       "material": 2
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_global_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    
+    "low_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_2",
+       "out": "after_low_pressure_pump",
+       "q_flowrate": 4,
+       "head": 57,
+       "efficiency": 36,
+       "power": 1.3,
+       "cap": 2.5,
+       "motor_rating": 370,
+       "design_press": 6,
+       "material": 2,
+       "delta_p": 1000.0
+     },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_low_pressure_pump",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "non_return_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_3",
+       "out": "after_non_return_valve_1",
+       "q_flowrate": 4,
+       "pressure_ratio": 0.5,
+       "pressure_drop": 0.72,
+       "material": 2
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "strainer": {
+       "type": "Strainer",
+       "in": "after_pipe_4",
+       "out": "after_strainer",
+       "q_flowrate": 4,
+       "pressure_drop": 0.192,
+       "material": 2,       
+       "delta_p": 1000.0
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_strainer",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "global_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_5",
+       "out": "after_global_valve_2",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,       
+       "pressure_ratio": 0.5
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_global_valve_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "high_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_6",
+       "out": "after_high_pressure_pump",
+       "q_flowrate": 35,
+       "head": 32,
+       "efficiency": 25,
+       "power": 4.75,
+       "cap": 600,
+       "discharge_press": 50,
+       "motor_rating": 7.5,
+       "relief_press": 200,
+       "material": 2,
+       "delta_p": 1000.0
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_high_pressure_pump",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "non_return_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_7",
+       "out": "after_non_return_valve_2",
+       "q_flowrate": 4,
+       "pressure_drop": 0.72,
+       "material": 2,       
+       "pressure_ratio": 0.5
+     },
+     "pipe_8": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_2",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "global_valve_3": {
+       "type": "Valve",
+       "in": "after_pipe_8",
+       "out": "after_valve_3",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,
+       "pressure_ratio": 0.5
+    },
+
+
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "recycle_to_tank",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 2
+    }
+  
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 17.0,
+    "dt": 1.0,
+    "backend": "scipy"
+  }
+}
+
+
+

processforge-0.3.13/flowsheets/custom/simple_hyrdaulic_scheme.json

@@ -0,0 +1,202 @@
+{
+  "metadata": {
+    "name": "Hydraulic Chain Example",
+    "description": "A two-pump, one-valve, one-strainer steady-state hydraulic system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Benzene": {
+      "id": 1
+    },
+    "Toluene": {
+      "id": 2
+    },
+    "Steel": {
+      "id": 3
+    }
+  },
+  "material_mixes": {
+    "Benzene_Toluene_Mix": {
+      "friendly_material_mix_id": 1,
+      "percent_type": "ao",
+      "components": [
+        {"name": "Benzene", "fraction": 0.8},
+        {"name": "Toluene", "fraction": 0.2}
+      ]
+    }
+  },
+  "streams": {
+    "feed": {
+      "T": 298.15,
+      "P": 101325,
+      "flowrate": 38,
+      "material_mix": 1
+    }
+  },
+  "units": {
+    "pipe_1": {
+      "type": "Pipes",
+      "in": "feed",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.040,
+      "material": 3
+    },
+    "valve_1": {
+      "type": "Valve",
+      "in": "after_pipe_1",
+      "out": "after_valve_1",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_1": {
+      "type": "Pump",
+      "in": "after_pipe_2",
+      "out": "after_pump_1",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_pump_1",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "strainer_1": {
+      "type": "Strainer",
+      "in": "after_pipe_3",
+      "out": "after_strainer_1",
+      "delta_p": 5000.0,
+      "material": 3
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pipe_1a": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_1a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_1a": {
+      "type": "Valve",
+      "in": "after_pipe_1a",
+      "out": "after_valve_1a",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2a": {
+      "type": "Pipes",
+      "in": "after_valve_1a",
+      "out": "after_pipe_2a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_2": {
+      "type": "Valve",
+      "in": "after_pipe_4",
+      "out": "after_valve_2",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_valve_2",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_2": {
+      "type": "Pump",
+      "in": "after_pipe_5",
+      "out": "after_pump_2",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_pump_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_3": {
+      "type": "Valve",
+      "in": "after_pipe_6",
+      "out": "after_valve_3",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_4": {
+      "type": "Valve",
+      "in": "after_pipe_7",
+      "out": "after_valve_4",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_8": {
+      "type": "Pipes",
+      "in": "after_valve_4",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_5": {
+      "type": "Valve",
+      "in": ["after_pipe_8","after_pipe_2a"],
+      "out": "after_valve_5",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_5",
+      "out": "after_pipe_9",      
+      "delta_p": 1000.0,
+      "diameter": 0.025,
+      "material": 3
+    }
+    
+  },
+  "simulation": {
+    "mode":"dynamic",
+    "t_final": 20,
+    "t_step": 1 
+  }
+}

{processforge-0.3.11 → processforge-0.3.13}/flowsheets/festim/hydrogen_transport_1d.json

@@ -25,31 +25,30 @@
     "festim_solver": {
       "type": "SolverUnit",
       "provider": "festim",
-      "sim_type": "hydrogen_transport",
-      "mesh": {
-        "vertices": [0.0, 0.001, 0.002, 0.003, 0.004, 0.005, 0.006, 0.007, 0.008, 0.009, 0.01]
-      },
-      "species": [
-        { "name": "H" }
-      ],
-      "subdomains": {
-        "volume": [
-          { "id": 1, "borders": [0.0, 0.01], "material": "default" }
-        ],
-        "surface": [
-          { "id": 2, "x": 0.0 },
-          { "id": 3, "x": 0.01 }
-        ]
-      },
-      "boundary_conditions": [
-        { "type": "fixed_concentration", "subdomain_id": 2, "species": "H", "value": 1 },
-        { "type": "fixed_concentration", "subdomain_id": 3, "species": "H", "value": 0 }
-      ],
-      "exports": [
-        { "type": "vtx_species", "field": "H", "filename": "hydrogen_concentration.bp", "times": "milestones" },
-        { "type": "profile_1d", "field": "H", "volume_id": 1, "times": "milestones" }
-      ],
+      "sim_type": "hydrogen_transport_tds",
       "solver_config": {
+        "mesh": {
+          "vertices": [0.0, 0.001, 0.002, 0.003, 0.004, 0.005, 0.006, 0.007, 0.008, 0.009, 0.01]
+        },
+        "subdomains": {
+          "volume": [
+            { "id": 1, "borders": [0.0, 0.01], "material": "default" }
+          ],
+          "surface": [
+            { "id": 2, "x": 0.0 },
+            { "id": 3, "x": 0.01 }
+          ]
+        },
+        "species": [
+          { "name": "H", "mobile": true }
+        ],
+        "boundary_conditions": [
+          { "type": "fixed_concentration", "subdomain": 2, "species": "H", "value": 1 },
+          { "type": "fixed_concentration", "subdomain": 3, "species": "H", "value": 0 }
+        ],
+        "exports": [
+          { "type": "profile_1d", "field": "H", "volume": 1, "times": [0.05, 0.1, 0.2, 0.5, 1] }
+        ],
         "atol": 1e-10,
         "rtol": 1e-10,
         "final_time": 2,
@@ -67,4 +66,4 @@
   "simulation": {
     "mode": "steady"
   }
-}
+}

processforge-0.3.13/flowsheets/festim/tds_tungsten.json

@@ -0,0 +1,136 @@
+{
+  "metadata": {
+    "name": "FESTIM TDS — Tungsten Thermal Desorption",
+    "description": "Thermo-desorption spectra (TDS) for a tungsten sample. Gaussian implantation source (400 s), resting phase, then a temperature ramp from 300 K at 8 K/s to desorb trapped hydrogen. Two trapping sites modelled via implicit empty-trap species. Reproduces notebooks_task02.ipynb.py.",
+    "version": "1.0"
+  },
+  "providers": {
+    "festim": {
+      "type": "festim",
+      "url": "http://localhost:9002",
+      "output_dir": "festim"
+    }
+  },
+  "materials": {
+    "tungsten": {
+      "id": 1,
+      "extra": {
+        "D_0": 4.1e-7,
+        "E_D": 0.39
+      }
+    }
+  },
+  "streams": {},
+  "units": {
+    "tds_solver": {
+      "type": "SolverUnit",
+      "provider": "festim",
+      "sim_type": "hydrogen_transport_tds",
+      "solver_config": {
+        "mesh": {
+          "segments": [
+            { "start": 0.0, "stop": 30e-9, "num": 200 },
+            { "start": 30e-9, "stop": 3e-6, "num": 300 },
+            { "start": 3e-6, "stop": 20e-6, "num": 200 }
+          ]
+        },
+        "subdomains": {
+          "volume": [
+            { "id": 1, "borders": [0.0, 20e-6], "material": "tungsten" }
+          ],
+          "surface": [
+            { "id": 1, "x": 0.0 },
+            { "id": 2, "x": 20e-6 }
+          ]
+        },
+        "species": [
+          { "name": "H", "mobile": true },
+          { "name": "trapped_H1", "mobile": false },
+          { "name": "trapped_H2", "mobile": false }
+        ],
+        "implicit_species": [
+          { "name": "empty_trap1", "n": 135.99814960153805, "others": ["trapped_H1"] },
+          { "name": "empty_trap2", "n": 41.84558449278094, "others": ["trapped_H2"] }
+        ],
+        "reactions": [
+          {
+            "type": "arrhenius",
+            "reactant": ["H", "empty_trap1"],
+            "product": ["trapped_H1"],
+            "k_0": 53983071.22305305,
+            "E_k": 0.39,
+            "p_0": 1e13,
+            "E_p": 0.87,
+            "volume": 1
+          },
+          {
+            "type": "arrhenius",
+            "reactant": ["H", "empty_trap2"],
+            "product": ["trapped_H2"],
+            "k_0": 53983071.22305305,
+            "E_k": 0.39,
+            "p_0": 1e13,
+            "E_p": 1.0,
+            "volume": 1
+          }
+        ],
+        "sources": [
+          {
+            "type": "particle",
+            "species": "H",
+            "volume": 1,
+            "value": {
+              "type": "gaussian",
+              "amplitude": 4.151347667934617e-05,
+              "center": 4.5e-9,
+              "width": 2.5e-9,
+              "active_until": 400
+            }
+          }
+        ],
+        "boundary_conditions": [
+          { "type": "fixed_concentration", "subdomain": 1, "species": "H", "value": 0 },
+          { "type": "fixed_concentration", "subdomain": 2, "species": "H", "value": 0 }
+        ],
+        "temperature": {
+          "type": "ramp",
+          "T0": 300,
+          "start_t": 450,
+          "ramp_rate": 8
+        },
+        "exports": [
+          { "type": "surface_flux", "field": "H", "surface": 1, "filename": "flux_left.csv" },
+          { "type": "surface_flux", "field": "H", "surface": 2, "filename": "flux_right.csv" },
+          { "type": "total_volume", "field": "H", "volume": 1, "filename": "total_mobile_H.csv" },
+          { "type": "total_volume", "field": "trapped_H1", "volume": 1, "filename": "total_trapped_H1.csv" },
+          { "type": "total_volume", "field": "trapped_H2", "volume": 1, "filename": "total_trapped_H2.csv" },
+          { "type": "profile_1d", "field": "H", "volume": 1, "times": [400, 450, 500] },
+          { "type": "profile_1d", "field": "trapped_H1", "volume": 1, "times": [400, 450, 500] },
+          { "type": "profile_1d", "field": "trapped_H2", "volume": 1, "times": [400, 450, 500] }
+        ],
+        "atol": 1e-10,
+        "rtol": 1e-10,
+        "max_iterations": 30,
+        "transient": true,
+        "final_time": 500,
+        "element_degree": 1,
+        "stepsize": {
+          "initial_value": 0.5,
+          "growth_factor": 1.1,
+          "cutback_factor": 0.9,
+          "target_nb_iterations": 4,
+          "max_stepsize": {
+            "type": "after_t",
+            "after_t": 450,
+            "value": 0.5
+          },
+          "milestones": [400, 450, 500]
+        },
+        "convergence_criterion": "residual"
+      }
+    }
+  },
+  "simulation": {
+    "mode": "steady"
+  }
+}

{processforge-0.3.11 → processforge-0.3.13}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "processforge"
-version = "0.3.11"
+version = "0.3.13"
 description = "A Python-based process simulation framework for chemical engineering applications."
 readme = "README.md"
 license = "BSD-3-Clause"
@@ -34,6 +34,7 @@ dependencies = [
     "graphviz>=0.20",
     "pandas>=2.2",
     "zarr>=3.0",
+    "pint>=0.24,<1.0",
     "coolprop>=7.2.0",
     "typer>=0.12",
 ]
@@ -64,9 +65,6 @@ cantera = [
 coolprop = [
     "coolprop>=6.6",
 ]
-pcl = [
-    "pint>=0.24",
-]
 dev = [
     "pytest>=7.0",
     "black",

{processforge-0.3.11 → processforge-0.3.13}/src/processforge/__init__.py

@@ -29,7 +29,7 @@ from .units.flash import Flash
 from .units.heater import Heater
 from .eo import EOFlowsheet, EOSolver
 
-__version__ = "0.3.2"
+__version__ = "0.3.13"
 
 __all__ = [
     "Flowsheet",