{
  "authors": [],
  "basis": {
    "capacity": "60 t/h glacial acetic acid, 504 kt/a (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8400
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "methanol",
        "grade": null,
        "note": "feed:MEOH: methanol, Grade AA (e.g. from methanol-1), 0.539 kg/kg acetic acid",
        "role": "feedstock"
      },
      {
        "chemical": "carbon-monoxide",
        "grade": null,
        "note": "feed:COGAS: carbon monoxide gas from a syngas cold box outside the boundary, 0.488 kg/kg",
        "role": "feedstock"
      },
      {
        "chemical": "iodomethane",
        "grade": null,
        "note": "feed:MEI: methyl iodide make-up (iodide promoter), 2.7 mg/kg",
        "role": "feedstock"
      },
      {
        "chemical": "hydrogen",
        "grade": null,
        "note": "Minor component only (0.3 mol%, ASSUMED) of the CO feed gas feed:COGAS, consumed by the methanation and propionic acid side reactions",
        "role": "reactant"
      }
    ],
    "outputs": [
      {
        "chemical": "acetic-acid",
        "grade": null,
        "inventory_key": "product:HAC",
        "note": "Glacial acetic acid to storage",
        "role": "main-product"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "note": "CO2 formed by the water-gas shift side reaction, in the off-gas product:OFFGAS to the flare / thermal oxidiser",
        "role": "waste"
      },
      {
        "chemical": "methane",
        "grade": null,
        "note": "CH4 formed from methanol and the CO feed's CH4, in the off-gas product:OFFGAS to the flare / thermal oxidiser",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "Pumps (ASSUMED electric drives); no CO compression inside the boundary",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:MPS",
        "note": "MP steam 1100 kPa(a) to the column reboilers",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Methanol (the methanol-1 product) and carbon monoxide gas (from a syngas cold box outside the\nboundary) react at about 190 C and 29 bar(a) in a low-water (6 wt%) iridium/ruthenium\ncarbonylation reactor. The reactor liquid is flashed, the flash heated by the reactor's cooling\ncircuit (about 11 MW of the reaction heat); the catalyst solution returns to the\nreactor, and the flash vapour is purified in a light-ends column (methyl iodide and methyl\nacetate overhead, decanted and recycled), a drying column (water recycled to the reactor) and\na heavy-ends column (propionic acid removed). The HP and LP vents are scrubbed with the fresh\nmethanol before the off-gas goes to a flare or thermal oxidiser.\n\nThe reactor is a lumped stoichiometric model whose by-product ratios (CO2 and CH4 formation,\neach about 1 % of the carbonylation rate) come from the examples of an open patent; the flash,\ncolumns, decanter and scrubber are specified splits of a shortcut balance, and the duties are\nshortcut estimates. See DESIGN.md of the engineering files for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "Reactor 463 K and 2900 kPa(a), water 6 wt%, methyl iodide 8 wt%, methyl acetate 15 wt% in the reactor liquid: design choices inside US 6,140,535 Examples 1-5 (D-003).",
      "By-products from US 6,140,535 Examples 1-5: CO2 0.8 % and CH4 0.9 % of the carbonylation rate (mid values of the reported ranges); propionic acid 500 ppm(wt) of the product, ASSUMED (D-004).",
      "Lumped stoichiometric reactor: catalyst cycle, methyl acetate and HI equilibria not modelled; no kinetics (D-004).",
      "Flash, column, decanter and scrubber splits, reflux ratios and duties: a shortcut balance (scripts/balance.py) with rounded property data, accuracy not stated (D-006, D-008).",
      "Off-gas CO 45 mol% of the non-condensables after scrubbing (D-007): sets the CO loss and so the yield on CO (96.7 %)."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "",
    "name": "Acetic acid (methanol carbonylation)",
    "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"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "flash",
      "distillation",
      "decanting",
      "absorption"
    ]
  },
  "families": [
    "oxygenates"
  ],
  "gap_count": 5,
  "gates": null,
  "id": "acetic-acid-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aacetic-acid-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aacetic-acid-1&process=acetic-acid-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "acetic acid",
    "methanol carbonylation",
    "Cativa",
    "iridium",
    "rhodium",
    "Monsanto",
    "methyl iodide",
    "carbon monoxide",
    "glacial acetic acid"
  ],
  "lca": {
    "allocation": "none",
    "backend": "factors",
    "boundary": "cradle-to-gate",
    "categories": [
      {
        "id": "climate-change",
        "method": "GWP100",
        "title": "Climate change",
        "unit": "kg CO2-eq"
      }
    ],
    "contributions": [],
    "data_sources": [],
    "factors_status": "none",
    "functional_unit": {
      "amount": 1,
      "chemical": "acetic-acid",
      "grade": null,
      "label": "1 kg acetic acid",
      "product": "HAC",
      "product_name": "Acetic acid",
      "product_title": "Glacial acetic acid to storage",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of glacial acetic acid by low-water iridium methanol carbonylation, for the process library: the foreground exchanges per kg of acetic acid at the gate (raw materials, utilities, wastes, off-gas) from the concept flowsheet, ready to be linked to background datasets later. Not an impact assessment: no background is linked.",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:MEOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.539037,
        "title": "Methanol, Grade AA (from methanol-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:COGAS",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.487992,
        "title": "Carbon monoxide gas (from a syngas cold box outside the boundary)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:MEI",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.66667e-06,
        "title": "Methyl iodide make-up (iodide promoter)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.00788333,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:MPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.451817,
        "title": "MP steam 1100 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:HAC",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "Glacial acetic acid to storage",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:OFFGAS",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.02568,
        "title": "Scrubbed off-gas to the site flare / thermal oxidiser",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:HEAVY",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.00135,
        "title": "Heavy ends (propionic acid in acetic acid) to incineration",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.09177,
        "title": "Cooling water return",
        "unit": "kWh"
      }
    ],
    "no_total": {
      "baseline": {
        "climate-change": {
          "gaps": 8,
          "reason": "every-contribution-a-gap"
        }
      }
    },
    "not_computed": [
      "climate-change"
    ],
    "pcf": [],
    "publishable": true,
    "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",
      "lca/uncertainty.csv"
    ],
    "totals": {
      "baseline": {}
    },
    "withheld_reason": null
  },
  "lci_gaps": [
    {
      "dataset": "acetic-acid-by-methanol-carbonylation-60-t-h-glacial-acetic-acid-ir-ru-low-water",
      "key": "feed:MEOH",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "acetic-acid-by-methanol-carbonylation-60-t-h-glacial-acetic-acid-ir-ru-low-water",
      "key": "feed:COGAS",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "acetic-acid-by-methanol-carbonylation-60-t-h-glacial-acetic-acid-ir-ru-low-water",
      "key": "feed:MEI",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "acetic-acid-by-methanol-carbonylation-60-t-h-glacial-acetic-acid-ir-ru-low-water",
      "key": "product:OFFGAS",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "acetic-acid-by-methanol-carbonylation-60-t-h-glacial-acetic-acid-ir-ru-low-water",
      "key": "product:HEAVY",
      "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": [
    {
      "title": "BP Chemicals (2000) Iridium-catalyzed carbonylation process for the production of acetic acid. US Patent 6,140,535 (Examples 1-5, operating ranges)",
      "url": "https://patents.google.com/patent/US6140535A/en"
    },
    {
      "doi": "10.1595/003214000X44394105",
      "title": "Jones, J.H. (2000) The Cativa process for the manufacture of acetic acid. Platinum Metals Review 44(3), 94-105"
    },
    {
      "doi": "10.1016/S0920-5861(00)00263-7",
      "title": "Sunley, G.J., Watson, D.J. (2000) High productivity methanol carbonylation catalysis using iridium: the Cativa process. Catalysis Today 58, 293-307"
    },
    {
      "doi": "10.1002/14356007.a01_045.pub3",
      "title": "Le Berre, C. et al. (2014) Acetic acid. Ullmann's Encyclopedia of Industrial Chemistry"
    },
    {
      "doi": "10.1016/j.cherd.2020.04.013",
      "title": "Dimian, A.C., Kiss, A.A. (2020) Novel energy efficient process for acetic acid production by methanol carbonylation. Chem. Eng. Res. Des. 159, 1-12"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/acetic-acid-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 36142,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/acetic-acid-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 156711,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/acetic-acid-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": "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": "Liquid-phase carbonylation of methanol with carbon monoxide on an iridium/ruthenium catalyst with methyl iodide promoter, a flash heated with reactor heat, light-ends, drying and heavy-ends columns and methanol scrubbing of the vents, to glacial acetic acid. Concept stage, assumed basis.",
  "title": "Acetic acid by low-water iridium methanol carbonylation (60 t/h glacial acid, concept)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances (cheme validate, cheme process streams: every block and step closes, the reactor's four extents explain every component change). cheme maturity reaches no level: the capacity and the CO gas composition are assumed, and the flash, columns, decanter and scrubber are specified values of an independent shortcut balance (scripts/balance.py). Core cannot qualify flashes, columns or enthalpies of the acetic acid / water / methyl iodide / methyl acetate system, so the energy balance is not evaluable in core and every duty is an ASSUMED shortcut estimate. The reactor by-product ratios come from US 6,140,535 Examples 1-5. 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/acetic-acid-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}