{
  "authors": [],
  "basis": {
    "capacity": "200 kt/a phenol, 126 kt/a acetone (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8000
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "cumene",
        "grade": null,
        "note": "feed:CUM: fresh cumene, 2.11 kg/kg acetone (1.33 t per t phenol) from a cumene unit",
        "role": "feedstock"
      },
      {
        "chemical": "sulfuric-acid",
        "grade": null,
        "note": "feed:ACID: sulfuric acid 98 wt% (cleavage catalyst), counted by mass of the acid",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-hydroxide",
        "grade": null,
        "note": "feed:NAOH50: caustic soda 50 wt% (e.g. chlor-alkali-1), counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "air",
        "grade": null,
        "inventory_key": "feed:AIR",
        "note": "Oxidation air, 1.92 kg per kg phenol",
        "role": "reactant"
      },
      {
        "chemical": "hydrogen",
        "grade": null,
        "inventory_key": "feed:H2F",
        "note": "AMS hydrogenation to cumene; from hydrogen-1 or a site header",
        "role": "reactant"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:PW",
        "note": "Wash water to the neutraliser (ASSUMED)",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "acetone",
        "grade": null,
        "inventory_key": "product:ACETONE",
        "note": "Acetone product (the functional unit's product)",
        "role": "main-product"
      },
      {
        "chemical": "phenol",
        "grade": null,
        "inventory_key": "product:PHENOL",
        "note": "Phenol product, 1.59 kg/kg acetone",
        "role": "co-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WW",
        "note": "Neutralisation brine and acetone column bottoms",
        "role": "waste"
      },
      {
        "chemical": "air",
        "grade": null,
        "inventory_key": "product:VENT",
        "note": "Spent air (5 mol% O2) after condensers and carbon adsorbers",
        "role": "emission"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "190 kWh/t phenol (LVOC BREF Table 8.5); air compressor about 57 %",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "LP steam 500 kPa(a), CHP concentration",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:MPS",
        "note": "MP steam 1800 kPa(a), fractionation reboilers",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Fresh and recycled cumene is oxidised with compressed air in bubble-column oxidisers (dry\noxidation, about 110 C and 500 kPa(a)) to an oxidate of 25 wt% cumene hydroperoxide (CHP);\ndimethylbenzyl alcohol (DMBA), acetophenone and methanol are the side products. The spent\nair passes condensers and activated carbon adsorbers, which return cumene. Vacuum flashing\nconcentrates the CHP to 80 wt% and returns the unreacted cumene. Sulfuric acid cleaves the\nCHP to phenol and acetone and dehydrates most of the DMBA to alpha-methylstyrene (AMS); the\nrest forms heavies (cumylphenol). Caustic neutralises the acid, and a decanter removes the\nsodium sulfate brine. Four columns separate crude acetone, product acetone, a cumene/AMS\ncut, product phenol and a tar of heavies and acetophenone burned as fuel. The AMS is\nhydrogenated back to cumene on palladium.\n\nAll values are concept estimates: the conversion, selectivities and splits are ASSUMED and\nchecked against the ranges of the EU LVOC BREF (2017, chapter 8); the utilities are that\ndocument's plant data applied to this design, not calculated. See DESIGN.md for every\nassumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED oxidation: dry oxidation with air, 4 bubble columns in series, 368-388 K, 500 kPa(a); CHP 25 wt% at the outlet (BREF: 80-120 C, up to 700 kPa, 17-30 % CHP) (D-003, D-004).",
      "ASSUMED oxidation selectivity per kmol cumene converted: CHP 0.94, DMBA 0.05, acetophenone (+ methanol) 0.01; a sourced range check, not kinetics (D-004).",
      "ASSUMED concentration to 80 wt% CHP under vacuum (BREF 65-85 %) (D-006).",
      "ASSUMED cleavage: CHP fully cleaved; DMBA 75 % dehydrated to AMS, 25 % to cumylphenol (heavies) (D-005).",
      "ASSUMED AMS fully hydrogenated back to cumene; hydrogen vent 1 Nm3/t phenol (BREF 0.8-1.2) (D-008).",
      "Utilities from BREF LVOC Table 8.5 (one plant data set), not calculated for this design (D-011).",
      "Accuracy: concept estimate; no property method qualified for the polar mixture."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "",
    "name": "Acetone and phenol (cumene process)",
    "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",
      "compression",
      "evaporation",
      "distillation",
      "decantation",
      "adsorption",
      "hydrogenation"
    ]
  },
  "families": [
    "aromatics"
  ],
  "gap_count": 2,
  "gates": null,
  "id": "acetone-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aacetone-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aacetone-1&process=acetone-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aacetone-1&process=acetone-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aacetone-1&process=acetone-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aacetone-1&process=acetone-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aacetone-1&process=acetone-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aacetone-1&process=acetone-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "acetone",
    "phenol",
    "cumene",
    "cumene hydroperoxide",
    "Hock process",
    "alpha-methylstyrene",
    "oxidation",
    "cleavage",
    "distillation",
    "hydrogenation"
  ],
  "lca": null,
  "lci_gaps": [
    {
      "dataset": "phenol-and-acetone-from-cumene-cumene-hydroperoxide-route",
      "key": "feed:CUM",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "phenol-and-acetone-from-cumene-cumene-hydroperoxide-route",
      "key": "product:TAR",
      "link": "technosphere",
      "type": "output"
    }
  ],
  "maintainers": [],
  "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": "European Commission JRC (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals (LVOC BREF), EUR 28882 EN, chapter 8 Phenol",
      "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
    },
    {
      "doi": "10.1002/14356007.a19_299.pub2",
      "title": "Weber, M., Weber, M., Kleine-Boymann, M. (2004) Phenol. Ullmann's Encyclopedia of Industrial Chemistry. Wiley-VCH (cited via the LVOC BREF)"
    },
    {
      "doi": "10.1002/14356007.a01_079.pub4",
      "title": "Hoffmann, A. et al. (2017) Acetone. Ullmann's Encyclopedia of Industrial Chemistry (issue #132 lead; not audited in this run)"
    },
    {
      "title": "Speight, J.G. (2002) Chemical Process and Design Handbook. McGraw-Hill, Part 2 (cumene and acetone consumption per t phenol, via the tech-petchem-styrene-and-phenol skill)"
    },
    {
      "title": "US 8,975,444 B2, Cumene oxidation (typical oxidation selectivity 92-94 %, CHP 22-32 % at the oxidiser outlet, 90-115 C, 0-10 barg)",
      "url": "https://patents.google.com/patent/US8975444"
    },
    {
      "title": "US 5,245,090 (1993) Two-stage cleavage of cumene hydroperoxide (oxidation and cleavage conditions)",
      "url": "https://patents.google.com/patent/US5245090A/en"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/acetone-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 48769,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/acetone-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 209668,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/acetone-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": "Cumene is oxidised with air to cumene hydroperoxide, concentrated under vacuum and cleaved with sulfuric acid to phenol and acetone; the product is neutralised and fractionated, and alpha-methylstyrene is hydrogenated back to cumene. Concept stage, assumed basis, preliminary gate-to-gate LCI per kg acetone (foreground only).",
  "title": "Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)",
  "validation": {
    "notes": "Concept PFD (5 blocks, 15 steps) with closed mass, component and element balances (cheme validate, cheme process streams: every block and step within 1 kg/h); the oxidiser, cleavage, neutraliser and hydrogenation outlets are calculated by cheme from conversion and selectivity specifications, every separator is specified (scripts/balance.py). Fresh cumene 1.330 t/t phenol and tar 47 kg/t phenol fall inside the LVOC BREF ranges (1.31-1.38 t/t; 20-200 kg/t); steam and power are that document's plant data (Table 8.5), not a calculation. No energy balance: no property package covers the polar mixture. cheme maturity reaches no level. The LCI is foreground only, every background a gap (13 gaps): no impact result (lca.source none). 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/acetone-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}