{
  "authors": [],
  "basis": {
    "capacity": "100 000 t/a anhydrous ethanol (ASSUMED), 12 500 kg/h",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8000
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "ethylene",
        "grade": null,
        "note": "feed:ETHYLENE: polymer-grade ethylene from a steam cracker (e.g. ethylene-1), 0.646 kg/kg ethanol",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:WATER",
        "note": "Demineralised make-up water: reaction water and the water-loop blowdown",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "ethanol",
        "grade": null,
        "inventory_key": "product:ETOH",
        "note": "Anhydrous ethanol to storage",
        "role": "main-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WW",
        "note": "Water-loop blowdown, ~100 ppm(wt) ethanol and the neutralised acid",
        "role": "waste"
      },
      {
        "chemical": "flare-gas",
        "grade": null,
        "inventory_key": "product:FUELGAS",
        "note": "Loop purge and light-ends off-gas (ethylene, ethane, butenes, diethyl ether, ethanol) burned in the site fuel-gas system (a waste with energy recovery outside the boundary, D-013); the registry has no fuel-gas entry, flare-gas is the nearest",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "Compressors, process water pump, sieve vacuum pump (ASSUMED electric drives)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:HPS",
        "note": "HP steam 4200 kPa(a) to the reactor feed superheater",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "LP steam 450 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": "Ethylene from a steam cracker outside the boundary joins the recycle gas, takes up process\nwater (0.35 mol per mol ethylene) and is heated against the reactor effluent and with HP\nsteam to 240 C. About 5 % of the ethylene is hydrated per pass in an adiabatic bed at about\n7 MPa (patent literature: US 4003952, US 5349096). The effluent is cooled, the crude ethanol\nseparated and the gas scrubbed with water and recycled; a small purge controls the inerts.\nThe crude (about 12 mol% ethanol) is flashed, freed of ether and butenes in a light-ends\ncolumn, concentrated to 93 wt% and dehydrated on molecular sieves. Fermentation, the dominant\nroute for ethanol by volume, is not designed here.\n\nAll values are concept estimates: the reactor outlet is calculated by cheme from a sourced\nconversion with assumed selectivities, the separators are specified splits and the duties\ncome from an independent script (see DESIGN.md of the engineering files).\n",
  "design_basis": {
    "assumptions": [
      "Reactor R-101: adiabatic fixed bed of phosphoric acid on silica, inlet 513.15 K and 7050 kPa(a), water/ethylene 0.35 mol/mol (US 5349096 ranges; D-003).",
      "Conversion of ethylene 5 % per pass (US 4003952, prior-art description: 4-5 %); selectivity 0.97 ethanol, 0.01 diethyl ether, 0.005 butenes per kmol ethylene converted, ASSUMED (D-004).",
      "Separators, scrubber and columns: specified component splits, ASSUMED (D-005); duties from scripts/balance.py, ideal gas plus latent heats (D-006).",
      "Loop purge 0.1 % of the scrubbed gas, water-loop blowdown 10 % of the C-202 bottoms, ASSUMED (D-005).",
      "Phosphoric acid carried out of the reactor is made up to the catalyst and neutralised with caustic soda in the effluent: both small, not in the stream table, counted in the LCI as ASSUMED consumables (D-007).",
      "All flows, temperatures and duties are concept estimates from an unqualified method (D-006); accuracy not stated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "Concept design: anhydrous ethanol (100 000 t/a) by vapour-phase direct hydration of polymer-grade ethylene over phosphoric acid on silica, with gas recycle, water scrubbing, light-ends and concentrating distillation and molecular-sieve dehydration (issue ChemE-as-Code/process-library#129). P&IDs, layout and HAZOP are out of scope at this stage.",
    "name": "Ethanol (ethylene direct hydration)",
    "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",
      "fuels"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "heat-exchange",
      "flash",
      "absorption",
      "distillation",
      "adsorption",
      "compression"
    ]
  },
  "families": [
    "oxygenates"
  ],
  "gap_count": 6,
  "gates": null,
  "id": "ethanol-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aethanol-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aethanol-1&process=ethanol-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aethanol-1&process=ethanol-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aethanol-1&process=ethanol-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aethanol-1&process=ethanol-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aethanol-1&process=ethanol-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aethanol-1&process=ethanol-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "ethanol",
    "ethylene hydration",
    "synthetic ethanol",
    "phosphoric acid catalyst",
    "recycle",
    "purge",
    "distillation",
    "molecular sieve",
    "anhydrous ethanol"
  ],
  "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": "ethanol",
      "grade": null,
      "label": "1 kg ethanol",
      "product": "ETOH",
      "product_name": "Ethanol",
      "product_title": "Anhydrous ethanol to storage",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of anhydrous ethanol (99.8 wt%) from vapour-phase direct hydration of ethylene at concept stage, per kg of product, with every background still open: only the foreground exchanges of the balanced flowsheet are quantified (ethylene, water, power, HP and LP steam, cooling water, off-gas, wastewater, consumables); the backgrounds, ethylene above all, are gaps to be linked later. Not a carbon footprint (D-013).",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:ETHYLENE",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.646011,
        "title": "Polymer-grade ethylene from a steam cracker",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:WATER",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.677728,
        "title": "Demineralised make-up water",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0551108,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:HPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.371378,
        "title": "HP steam 4200 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.4304,
        "title": "LP steam 450 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:ETOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "Anhydrous ethanol to storage",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:FUELGAS",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0516664,
        "title": "Loop purge and light-ends off-gas to the fuel-gas header",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:WW",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.272073,
        "title": "Water-loop blowdown to wastewater treatment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.20659,
        "title": "Cooling water return",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "consumable:phosphoric-acid",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000999833,
        "title": "Phosphoric acid make-up to the catalyst (as 100 % H3PO4)",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.phosphoric-acid",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000999833,
        "title": "Disposal: Phosphoric acid make-up to the catalyst (as 100 % H3PO4) (neutralised to sodium phosphate, leaves with the blowdown to biological wastewater treatment)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "consumable:caustic-soda",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000819863,
        "title": "Caustic soda for the acid neutralisation (as 100 % NaOH)",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.caustic-soda",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000819863,
        "title": "Disposal: Caustic soda for the acid neutralisation (as 100 % NaOH) (as sodium phosphate in the blowdown to biological wastewater treatment)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "consumable:hydration-catalyst",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000149975,
        "title": "Hydration catalyst (H3PO4 on silica), R-101 charge",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.hydration-catalyst",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.000149975,
        "title": "Disposal: Hydration catalyst (H3PO4 on silica), R-101 charge (landfill of the spent acid-impregnated silica after neutralisation)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "consumable:molecular-sieve",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 5.999e-05,
        "title": "Molecular sieve 3A (V-301 beds)",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.molecular-sieve",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 5.999e-05,
        "title": "Disposal: Molecular sieve 3A (V-301 beds) (landfill of spent zeolite (inert))",
        "unit": "kg"
      }
    ],
    "no_total": {
      "baseline": {
        "climate-change": {
          "gaps": 16,
          "reason": "every-contribution-a-gap"
        }
      }
    },
    "not_computed": [
      "climate-change"
    ],
    "pcf": [],
    "publishable": true,
    "result": {
      "classification": "partial",
      "gaps": 16,
      "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"
    ],
    "totals": {
      "baseline": {}
    },
    "withheld_reason": null
  },
  "lci_gaps": [
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "product:FUELGAS",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "consumable:phosphoric-acid",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "disposal:consumable.phosphoric-acid",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "consumable:caustic-soda",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "disposal:consumable.caustic-soda",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "ethanol-by-direct-hydration-of-ethylene-100-000-t-a-anhydrous",
      "key": "consumable:hydration-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": [
    {
      "title": "US 4003952 A: Direct hydration of olefins to alcohols (prior-art conditions, conversion per pass, by-products)",
      "url": "https://patents.google.com/patent/US4003952A/en"
    },
    {
      "title": "US 5349096 A (BP Chemicals): Olefin hydration process (operating window and test data for ethylene)",
      "url": "https://patents.google.com/patent/US5349096A/en"
    },
    {
      "doi": "10.1002/14356007.a09_587.pub2",
      "title": "Ullmann's Encyclopedia of Industrial Chemistry: Ethanol (route reference, not audited)"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/ethanol-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 33535,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/ethanol-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 174333,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/ethanol-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": "Vapour-phase hydration of polymer-grade ethylene over phosphoric acid on silica with a large gas recycle, water scrubbing, light-ends and concentrating distillation and molecular-sieve dehydration to anhydrous ethanol. Concept stage, assumed basis, gate-to-gate LCI with unmapped backgrounds.",
  "title": "Ethanol by direct hydration of ethylene (100 000 t/a anhydrous, phosphoric acid catalyst)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances in every block and step (cheme validate, cheme process streams). The reactor outlet is calculated by cheme from a sourced per-pass conversion (US 4003952) with assumed selectivities, and its adiabatic energy balance closes on the ideal-gas data; separators, columns, the molecular sieve and all other duties are specified values from an independent script (scripts/balance.py) whose method core cannot qualify for ethylene/water/ethanol. 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/ethanol-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}