{
  "authors": [],
  "basis": {
    "capacity": "17.3 t/h liquid phosgene (about 139 kt/a), set by the 12.5 t/h chlorine of chlor-alkali-1 (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8000
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "carbon-monoxide",
        "grade": null,
        "note": "feed:CO: carbon monoxide from a syngas cold box outside the boundary, 0.300 kg/kg phosgene",
        "role": "feedstock"
      },
      {
        "chemical": "chlorine",
        "grade": null,
        "note": "feed:CL2: phosgene-grade chlorine (chlor-alkali-1), 0.721 kg/kg",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-hydroxide",
        "grade": null,
        "note": "feed:NAOH: caustic soda 50 wt% (chlor-alkali-1), counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:PW",
        "note": "Dilution water of the scrubber caustic, 46 g/kg phosgene",
        "role": "feedstock"
      },
      {
        "chemical": "air",
        "grade": null,
        "inventory_key": "feed:AIR",
        "note": "Combustion air of the thermal oxidiser, 0.146 kg/kg phosgene",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "phosgene",
        "grade": null,
        "inventory_key": "product:PHOSGENE",
        "note": "Liquid phosgene to the captive consumer",
        "role": "main-product"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "inventory_key": "emission:CO2",
        "note": "22.4 g/kg phosgene, from burning the 5 % CO excess in the thermal oxidiser (fossil)",
        "role": "emission"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:EFF",
        "note": "Spent scrubber liquor, 76 g/kg phosgene: NaCl, Na2CO3 and excess NaOH in water, to treatment",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "1.1 Wh/kg phosgene: coolant-circuit vacuum pump, scrubber pump, air fan (ASSUMED); the brine refrigeration's power is in its own exchange",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "0.361 kWh/kg phosgene: reactor heat via the boiling-water circuit and the first condenser, 25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Phosgene-grade chlorine (the 12.5 t/h Cl2 of chlor-alkali-1, after liquefaction and\nre-evaporation) is mixed with 5 % molar excess carbon monoxide and converted over activated\ncarbon in a multitubular reactor whose shell holds water boiling below atmospheric pressure\n(the arrangement of EP1640341A2). The outlet is condensed in two stages (cooling water, then\nbrine to 253 K) and the liquid phosgene goes to the captive consumer without storage. The vent\n(mostly CO, with 9 mol% phosgene) passes a caustic scrubber that destroys the phosgene and\nchlorine, and a thermal oxidiser that burns the CO to CO2; every emission is explicit in the\nflue-gas stream and the inventory.\n\nThe reactor is a conversion model (99.995 % of the chlorine) checked against the ideal-gas\nequilibrium by cheme; the condenser and scrubber values come from an independent script\n(Raoult's law, scripts/balance.py) because no property package of core covers phosgene or the\ncaustic liquor. See DESIGN.md for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED 5 % molar CO excess over Cl2 (D-004), inside the 2-20 % (preferably 5-12 %) of EP1640341A2.",
      "ASSUMED Cl2 conversion 99.995 % in the multitubular reactor (D-005): a conversion model, not kinetics; cheme process reactors gives ln(Q/K) = -8.7 at the outlet (short of equilibrium).",
      "ASSUMED reactor outlet 353 K, 350 kPa(a), cooled by water boiling at 0.2-0.3 bar(a) as in EP1640341A2, condensed against cooling water (D-005).",
      "ASSUMED condensation in two stages to 308 K (cooling water) and 253 K (brine) at 340-345 kPa(a); Raoult's law, CO/N2/O2 insoluble (D-006, D-007).",
      "ASSUMED caustic scrubber: 18 wt% NaOH, 1.5 x stoichiometric, 99.99 % destruction of phosgene and Cl2 (D-008).",
      "ASSUMED thermal oxidiser: 99.9 % CO and 99 % residual-phosgene destruction, 1123 K outlet, adiabatic, no support fuel, no heat recovery (D-009).",
      "All flows, temperatures and duties are concept estimates (scripts/balance.py, D-006); accuracy +/-30 % not demonstrated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "Phosgene from CO and chlorine over activated carbon, captive supply (issue #164); concept stage",
    "name": "Phosgene",
    "requires": "cheme-as-code>=0.8",
    "stage": "concept",
    "stages": [
      {
        "id": "concept",
        "title": "Concept and feasibility"
      },
      {
        "id": "basic",
        "title": "Basic engineering"
      },
      {
        "id": "detail",
        "title": "Detail engineering"
      }
    ],
    "tool": "plantcode"
  },
  "facets": {
    "feedstock_basis": [
      "fossil",
      "electricity"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "condensation",
      "absorption",
      "incineration"
    ]
  },
  "families": [
    "chlorinated-organics"
  ],
  "gap_count": 2,
  "gates": null,
  "id": "phosgene-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aphosgene-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aphosgene-1&process=phosgene-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aphosgene-1&process=phosgene-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aphosgene-1&process=phosgene-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aphosgene-1&process=phosgene-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aphosgene-1&process=phosgene-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aphosgene-1&process=phosgene-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "phosgene",
    "carbonyl chloride",
    "carbon monoxide",
    "chlorine",
    "activated carbon",
    "multitubular reactor",
    "condensation",
    "caustic scrubber",
    "thermal oxidiser",
    "isocyanates",
    "captive production"
  ],
  "lca": {
    "allocation": null,
    "backend": "factors",
    "boundary": "cradle-to-gate",
    "categories": [
      {
        "id": "climate-change",
        "method": "GWP100",
        "title": "Climate change",
        "unit": "kg CO2-eq"
      }
    ],
    "data_sources": [],
    "factors_status": "published",
    "functional_unit": {
      "amount": 1,
      "chemical": "phosgene",
      "grade": null,
      "label": "1 kg phosgene",
      "product": "PHOSGENE",
      "product_name": "Phosgene",
      "product_title": "Liquid phosgene to the captive consumer",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of liquid phosgene made from CO and chlorine over activated carbon, for captive use, at the concept stage: which raw materials, utilities, wastes and emissions the plant exchanges per kg of phosgene, as the foreground for a later cradle-to-gate study. No impact results: the backgrounds are not mapped yet (D-012).",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:CO",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.299501,
        "title": "Carbon monoxide (from a syngas cold box outside the boundary)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:CL2",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.720951,
        "title": "Phosgene-grade chlorine (chlor-alkali-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:NAOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.025612,
        "title": "Caustic soda 50 wt% (chlor-alkali-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:PW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0455325,
        "title": "Process water (dilution)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:AIR",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.145641,
        "title": "Combustion air",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.00110688,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:PHOSGENE",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "Liquid phosgene to the captive consumer",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:EFF",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0760662,
        "title": "Spent scrubber liquor to wastewater treatment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:STACK",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.161171,
        "title": "Oxidiser flue gas to stack",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.360849,
        "title": "Cooling water return",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:BRINE",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0277873,
        "title": "Refrigerated brine return (243 K)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "emission:AR",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.00186843,
        "title": "AR to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CL2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.07219e-10,
        "title": "CL2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.42476e-05,
        "title": "CO to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.0223641,
        "title": "CO2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:COCL2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 5.27818e-09,
        "title": "COCL2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:H2O",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.000356981,
        "title": "H2O to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:HCL",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 3.85221e-07,
        "title": "HCL to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:N2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.110657,
        "title": "N2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:O2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.02591,
        "title": "O2 to the environment",
        "unit": "kg"
      }
    ],
    "not_computed": [],
    "publishable": false,
    "result": {
      "classification": "partial",
      "gaps": 8,
      "label": "partial screening carbon footprint",
      "publication": "public"
    },
    "sources": [
      "lca/README.md",
      "lca/dataset.yaml",
      "lca/factors.yaml",
      "lca/gaps.csv",
      "lca/inventory.csv",
      "lca/lca.yaml",
      "lca/mappings.yaml",
      "lca/results.csv",
      "lca/results.md"
    ],
    "values_withheld": "stale-run-manifest",
    "withheld_reason": "stale-run-manifest"
  },
  "lci_gaps": [
    {
      "dataset": "phosgene-from-co-and-chlorine-over-activated-carbon-17.3-t-h-liquid-phosgene-captive",
      "key": "feed:CO",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "phosgene-from-co-and-chlorine-over-activated-carbon-17.3-t-h-liquid-phosgene-captive",
      "key": "product:BRINE",
      "link": "technosphere",
      "type": "output"
    }
  ],
  "maintainers": [
    {
      "name": "Artur Schweidtmann"
    }
  ],
  "maturity": "concept",
  "preliminary": true,
  "provenance": {
    "library_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "previews": {
      "sheets": [
        "BFD",
        "PFD"
      ],
      "source_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
      "tool": "cheme 1.6.0 (pyDEXPI 2.1.0)"
    },
    "previews_stale": false,
    "source_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0"
  },
  "publication": {
    "license": "CC-BY-4.0",
    "status": "public"
  },
  "references": [
    {
      "doi": "10.1039/D3RE00354J",
      "title": "Hughes, R.; Rossi, G. E.; Lennon, D. (2023) Operational parameters relevant to the examination of phosgene synthesis catalysis. React. Chem. Eng. 8, 3150-3161 (CC BY 3.0)"
    },
    {
      "doi": "10.1039/C2CY20224G",
      "title": "Mitchell, C. J. et al. (2012) Selection of carbon catalysts for the industrial manufacture of phosgene. Catal. Sci. Technol. 2, 2109-2115"
    },
    {
      "doi": "10.1002/14356007.a19_411.pub2",
      "title": "Cotarca, L.; Lange, C.; Meurer, K.; Pauluhn, J. (2019) Phosgene. Ullmann's Encyclopedia of Industrial Chemistry"
    },
    {
      "title": "Bayer MaterialScience AG (2006) EP1640341A2: Verfahren und Vorrichtung zur Herstellung von Phosgen (process and apparatus for the production of phosgene)",
      "url": "https://patents.google.com/patent/EP1640341A2/en"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/phosgene-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 31261,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/phosgene-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 115731,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/phosgene-1/PFD.svg",
      "source": "process/PFD.xml",
      "status": "preview",
      "title": "Process flow diagram"
    },
    {
      "id": "process-model",
      "kind": "process-model",
      "source": "process/flowsheet.yaml",
      "status": "viewer",
      "title": "Flowsheet and stream table"
    },
    {
      "id": "simulation",
      "kind": "simulation",
      "source": "process/simulation.yaml",
      "status": "viewer",
      "title": "Process simulation"
    },
    {
      "id": "equipment-list",
      "kind": "equipment-list",
      "source": "equipment/equipment-list.yaml",
      "status": "viewer",
      "title": "Equipment list"
    },
    {
      "id": "lca",
      "kind": "lca",
      "source": "lca/lca.yaml",
      "status": "viewer",
      "title": "Life cycle assessment"
    }
  ],
  "summary": "Carbon monoxide and chlorine react over activated carbon in a boiling-water-cooled multitubular reactor; the phosgene is condensed and delivered as a liquid to an adjacent isocyanate plant, and the CO-rich vent is scrubbed with caustic and burnt. Concept stage, assumed basis, preliminary gate-to-gate LCI.",
  "title": "Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances (cheme validate, cheme process streams). The reactor and the thermal oxidiser are calculated by cheme (conversion model); core reproduces the reactor duty of the independent balance (-5180.8 kW) and confirms the oxidiser is adiabatic (duty 0.0004 kW) on ideal-gas data. The condensation (Raoult's law) and the caustic scrubber are specified values from scripts/balance.py: no property package of core covers phosgene or the caustic liquor, so their energy balance is not evaluable in core. The capacity, feed purities, conversions and destruction efficiencies are assumed. Preliminary gate-to-gate LCI with every background unmapped (gaps). cheme maturity reaches no level (assumed feeds and conversions, DESIGN.md). Not reviewed. Main products and feeds are listed under chemistry with their chemicals registry entries (issue #251).",
    "status": "unreviewed"
  },
  "viewer": {
    "commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "dirty": false,
    "sheets": [
      "process/BFD.xml",
      "process/PFD.xml"
    ],
    "skipped": [],
    "snapshot": "snapshots/phosgene-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}