{
  "authors": [],
  "basis": {
    "capacity": "25 t/h aniline, 210 kt/a (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8400
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "nitrobenzene",
        "grade": null,
        "note": "feed:NBF: nitrobenzene from the nitration plant, 1.33 kg/kg aniline",
        "role": "feedstock"
      },
      {
        "chemical": "hydrogen",
        "grade": null,
        "inventory_key": "feed:H2F",
        "note": "Make-up hydrogen from hydrogen-1 (99.9 mol%, 2850 kPa(a))",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "aniline",
        "grade": null,
        "inventory_key": "product:ANILINE",
        "note": "Aniline to storage",
        "role": "main-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WW",
        "note": "Stripped process water, 50 ppm(wt) aniline and about 0.1 wt% ammonia (ASSUMED)",
        "role": "waste"
      },
      {
        "chemical": "steam",
        "grade": null,
        "note": "MP steam 1500 kPa(a) raised from the reaction heat, net of the reboilers (product:MPSX)",
        "role": "co-product"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "Circulator K-101, pumps and vacuum pump (ASSUMED electric drives)",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Liquid nitrobenzene is sprayed into the preheated hydrogen recycle gas (60 mol H2 per mol\nnitrobenzene at the reactor inlet) and converted completely in one adiabatic Pd-V-Pb/alpha-\nalumina bed (513 to 729 K, 5 bar) at a selectivity of 99.7 % to aniline; benzene and\ndiphenylamine stand for the low- and high-boiling by-products, with ammonia. The effluent\nraises MP steam, preheats the recycle gas and is condensed; the gas is recycled with a small\npurge, the condensate splits into a wet crude aniline and an aniline-saturated water. A\ndehydration column, a vacuum aniline column and a process water stripper give aniline at\n99.95 wt% and a process water with 50 ppm aniline.\n\nAll values are concept estimates. The reactor conditions and selectivity follow open Bayer\n(now Covestro) patents; the separator, decanter and columns come from an independent script\nwhose activity approximation is not qualified by ChemE-as-Code; see DESIGN.md of\nthe engineering files for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED reactor: single adiabatic Pd-V-Pb/alpha-alumina fixed bed, inlet 513.15 K and 530 kPa(a); conditions inside the preferred ranges of US 2008/0234518 A1 (D-003).",
      "ASSUMED complete nitrobenzene conversion and selectivity 0.997 to aniline (US 2008/0234518 A1, example 3); remaining 0.3 % split 0.2 % benzene, 0.1 % diphenylamine (D-004).",
      "ASSUMED H2/NB 60 mol/mol at the reactor inlet (patent range 3-150, most preferred 50-90); N2 held at 5 mol% in the loop gas by the purge (D-005).",
      "ASSUMED three-phase separator at 333.15 K, 410 kPa(a); decanter at 313.15 K with 5 wt% water in the organic and 3.6 wt% aniline in the aqueous phase (D-007).",
      "ASSUMED columns: C-201 top 60 kPa(a), C-202 top 20 kPa(a) with reflux ratio 0.5, C-102 at 101.3 kPa(a) with 50 ppm(wt) aniline in the bottoms; 30 % reflux margin on the C-201 and C-102 condensers (D-008).",
      "ASSUMED circulator isentropic efficiency 0.75; pumps and vacuum pump 150 kW lumped (D-009).",
      "All separator, column and duty values are concept estimates of scripts/aniline_balance.py with an unqualified activity approximation (D-006, D-007); accuracy not stated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "",
    "name": "Aniline (nitrobenzene hydrogenation)",
    "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",
      "heat-exchange",
      "phase-separation",
      "distillation",
      "stripping"
    ]
  },
  "families": [
    "nitrogen-organics"
  ],
  "gap_count": 4,
  "gates": null,
  "id": "aniline-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aaniline-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aaniline-1&process=aniline-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aaniline-1&process=aniline-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aaniline-1&process=aniline-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aaniline-1&process=aniline-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aaniline-1&process=aniline-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aaniline-1&process=aniline-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "aniline",
    "nitrobenzene",
    "hydrogenation",
    "gas phase",
    "adiabatic reactor",
    "palladium catalyst",
    "hydrogen recycle",
    "heteroazeotrope",
    "decanter",
    "distillation",
    "MDI precursor"
  ],
  "lca": null,
  "lci_gaps": [
    {
      "dataset": "aniline-by-gas-phase-hydrogenation-of-nitrobenzene-25-t-h",
      "key": "feed:NBF",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "aniline-by-gas-phase-hydrogenation-of-nitrobenzene-25-t-h",
      "key": "product:FUELGAS",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "aniline-by-gas-phase-hydrogenation-of-nitrobenzene-25-t-h",
      "key": "product:RESIDUE",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "aniline-by-gas-phase-hydrogenation-of-nitrobenzene-25-t-h",
      "key": "consumable:hydrogenation-catalyst",
      "link": "technosphere",
      "type": "input"
    }
  ],
  "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": "10.1002/14356007.a02_303.pub2",
      "title": "Kahl, T. et al. Aniline. Ullmann's Encyclopedia of Industrial Chemistry (Wiley-VCH); route reference lead, not audited in this run"
    },
    {
      "title": "Bayer MaterialScience AG (2008) Process for producing aromatic amines. US 2008/0234518 A1 (granted US 9,067,864 B2)",
      "url": "https://patents.google.com/patent/US20080234518A1/en"
    },
    {
      "title": "Bayer Intellectual Property GmbH (2016) Process for purifying aniline from gas phase hydrogenations. US 9,233,910 B2",
      "url": "https://patents.google.com/patent/US9233910B2/en"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/aniline-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 28879,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/aniline-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 141020,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/aniline-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": "Nitrobenzene is evaporated into a large hydrogen recycle and hydrogenated to aniline over a palladium/alumina fixed bed; the reaction heat raises MP steam, the condensate is decanted, the process water stripped and the crude aniline dried and distilled. Concept stage, assumed basis, preliminary gate-to-gate inventory.",
  "title": "Aniline by adiabatic gas-phase hydrogenation of nitrobenzene (25 t/h)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances (cheme validate, cheme process streams). The reactor outlet is calculated by cheme from a sourced selectivity (US 2008/0234518 A1, example 3) and its adiabatic duty checks to within 1 kW; the capacity, feed state, by-product split, separator, decanter and column values are ASSUMED or come from scripts/aniline_balance.py, whose vapour-liquid-liquid model of aniline and water is not qualified. Energy closure of the separations is not evaluable in core. 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/aniline-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}