{
  "authors": [],
  "basis": {
    "capacity": "6.25 t/h formic acid 85 wt% (50 kt/a), 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, 0.568 kg/kg product",
        "role": "feedstock"
      },
      {
        "chemical": "methanol",
        "grade": null,
        "note": "feed:MEOH: methanol make-up (e.g. methanol-1), 0.012 kg/kg",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-methoxide",
        "grade": null,
        "note": "feed:CAT: catalyst: sodium methoxide 30 wt% in methanol, counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:PW",
        "note": "Demineralised hydrolysis make-up water, 0.483 kg/kg product",
        "role": "feedstock"
      },
      {
        "chemical": "air",
        "grade": null,
        "inventory_key": "feed:AIR",
        "note": "Combustion air of the vent oxidiser, 0.235 kg/kg product",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "formic-acid",
        "grade": null,
        "inventory_key": "product:FA",
        "note": "Formic acid 85 wt% to storage, counted by mass of the solution",
        "role": "main-product"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "inventory_key": "emission:CO2",
        "note": "72.4 g/kg product, from burning the carbonylation vent (unreacted CO) in the oxidiser (fossil)",
        "role": "emission"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "84 Wh/kg product: CO compressor (89 %), pumps, vacuum system (ASSUMED efficiencies)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "4.46 kWh heat/kg product as LP steam (450 kPa(a)): reboilers of five columns, hydrolyser feed preheat (shortcut, no heat integration, D-011)",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "3.61 kWh/kg product removed, 25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Carbon monoxide (from a syngas cold box outside the boundary) is compressed to 4.6 MPa and\nabsorbed into recycled methanol with 2.5 wt% sodium methoxide in a gas-liquid loop reactor at\n353 K; 30 % of the methanol is converted per pass and the CO-rich vent (8 % of the CO fed) is\nburnt in a thermal oxidiser. Methyl formate is distilled off and hydrolysed at 393 K with\nwater (1.5 mol/mol), autocatalysed by recycled formic acid, to 95 % (assumed) of the equilibrium\nconversion (28.9 % per pass). Unreacted ester and the methanol formed are distilled off and\nrecycled; the methanol returns dry to the carbonylation, so only losses are made up. The\ndilute acid (49 wt%) is concentrated by pressure-swing distillation across the maximum-boiling\nformic acid / water azeotrope: a 203 kPa(a) column takes water overhead (recycled to the\nhydrolysis) and a 12 kPa(a) column gives the 85 wt% product overhead, its 66 wt% bottoms\nreturning to the hydrolyser as catalyst.\n\nThe reactors are conversion models from open patents (US4216339A, EP2747883A1, EP3661904B1,\nUS4299981); separators and columns are specified splits and every duty a shortcut estimate\nfrom an independent script (scripts/balance.py), because no property package of core covers\nthis liquid system. See DESIGN.md for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "Carbonylation at 353 K, 4500 kPa(a), 2.5 wt% sodium methoxide, 30 % methanol conversion per pass and 92 mol% CO yield (US4216339A Example 1; D-005).",
      "Hydrolysis at 393 K, 600 kPa(a), water/methyl formate 1.5 mol/mol, 95 % (ASSUMED) of the equilibrium conversion with Kx = 0.20 (EP2747883A1, EP3661904B1; US4299981 an unverified lead; D-008): 28.9 % per pass.",
      "Pressure-swing concentration: C-301 at 203 kPa(a) to 77 wt% (azeotrope about 80 wt%), C-302 at 12 kPa(a) to 85 wt% overhead and 66 wt% bottoms recycled to the hydrolyser (EP3661904B1, EP2747883A1; D-009).",
      "All column splits are sharp except the stated methanol in the methyl formate distillates and the 0.5 wt% acid in the C-301 water (D-007..D-009); reverse esterification and formic acid decomposition neglected (D-008).",
      "Duties are shortcut estimates ((R+1) D dHvap, ASSUMED reflux ratios, C-301 at 1.2 times its estimated minimum, no heat integration; D-011); total LP steam heat 4.46 kWh/kg product, about 1.9 times the 2400 kWh/t of prior art quoted in EP2747883A1."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (issue #185); concept stage",
    "name": "Formic acid (methyl formate hydrolysis)",
    "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",
      "water"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "distillation",
      "compression",
      "incineration"
    ]
  },
  "families": [
    "oxygenates"
  ],
  "gap_count": 4,
  "gates": null,
  "id": "formic-acid-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aformic-acid-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aformic-acid-1&process=formic-acid-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aformic-acid-1&process=formic-acid-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aformic-acid-1&process=formic-acid-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aformic-acid-1&process=formic-acid-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aformic-acid-1&process=formic-acid-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aformic-acid-1&process=formic-acid-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "formic acid",
    "methyl formate",
    "methanol carbonylation",
    "sodium methoxide",
    "hydrolysis",
    "pressure-swing distillation",
    "azeotrope",
    "carbon monoxide"
  ],
  "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": "formic-acid",
      "grade": null,
      "label": "1 kg formic acid",
      "product": "FA",
      "product_name": "Formic acid",
      "product_title": "Formic acid 85 wt% to storage",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of formic acid 85 wt% made by methanol carbonylation and methyl formate hydrolysis with pressure-swing concentration, at the concept stage: which raw materials, utilities, wastes and emissions the plant exchanges per kg of product, 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": 0.56846,
        "title": "Carbon monoxide (from a syngas cold box outside the boundary)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:MEOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.012461,
        "title": "Methanol make-up (methanol-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:CAT",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.00231888,
        "title": "Sodium methoxide 30 wt% in methanol",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:PW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.482769,
        "title": "Process water (demineralised)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:AIR",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.234851,
        "title": "Combustion air",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.084304,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 4.46269,
        "title": "Low-pressure steam (450 kPa(a), saturated)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:FA",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "Formic acid 85 wt% to storage",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:PURGE",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.0140995,
        "title": "Spent catalyst purge (sodium formate and methoxide in methanol) to incineration",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:STACK",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.286758,
        "title": "Oxidiser flue gas to stack",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 4.48795,
        "title": "Cooling water return",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "emission:AR",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.00301289,
        "title": "AR to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 4.49227e-05,
        "title": "CO to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.072387,
        "title": "CO2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:H2O",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.000945794,
        "title": "H2O to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:MEOH",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 3.17927e-07,
        "title": "MEOH to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:MF",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 9.82108e-07,
        "title": "MF to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:N2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.183156,
        "title": "N2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:O2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.0272101,
        "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": "formic-acid-85-wt-by-methyl-formate-hydrolysis-6.25-t-h-50-kt-a",
      "key": "feed:CO",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "formic-acid-85-wt-by-methyl-formate-hydrolysis-6.25-t-h-50-kt-a",
      "key": "feed:MEOH",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "formic-acid-85-wt-by-methyl-formate-hydrolysis-6.25-t-h-50-kt-a",
      "key": "feed:CAT",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "formic-acid-85-wt-by-methyl-formate-hydrolysis-6.25-t-h-50-kt-a",
      "key": "product:PURGE",
      "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": "UCB SA (1980) US4216339A: Process for the production of methyl formate (Couteau, Ramioulle)",
      "url": "https://patents.google.com/patent/US4216339A/en"
    },
    {
      "title": "Taminco BV (2014) EP2747883A1: Process of formic acid production by hydrolysis of methyl formate (Pasek, Trejbal, Roose)",
      "url": "https://patents.google.com/patent/EP2747883A1/en"
    },
    {
      "title": "Eastman Chemical Co. (2020/2026) EP3661904B1: Process for producing formic acid using low-boiling formate esters",
      "url": "https://patents.google.com/patent/EP3661904B1/de"
    },
    {
      "title": "US4299981: Preparation of formic acid by hydrolysis of methyl formate (claims and abstract only, via search)",
      "url": "https://image-ppubs.uspto.gov/dirsearch-public/print/downloadPdf/4299981"
    },
    {
      "doi": "10.1002/14356007.a12_013.pub3",
      "title": "Formic Acid. Ullmann's Encyclopedia of Industrial Chemistry (issue lead; not read, licensed)"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/formic-acid-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 43229,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/formic-acid-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 202849,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/formic-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": "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": "Methanol and carbon monoxide form methyl formate over sodium methoxide; the ester is hydrolysed with water, methyl formate and methanol are recycled, and the aqueous acid is concentrated to 85 wt% by pressure-swing distillation. Concept stage, assumed basis, preliminary gate-to-gate LCI.",
  "title": "Formic acid 85 wt% by methanol carbonylation and methyl formate hydrolysis (50 kt/a)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances on every block and step (cheme validate, cheme process streams), recycles of methyl formate, methanol, water and 66 wt% acid closed by scripts/balance.py. The reactors and the oxidiser are calculated by cheme (conversion model); core's equilibrium check puts the hydrolyser outlet just short of the sourced Kx = 0.20 (ln Q/K = -0.11). Separator and column outlets are specified splits; duties are shortcut estimates with assumed reflux ratios (C-301 at 1.2 times a shortcut minimum reflux) and no heat integration (4.46 kWh LP steam heat per kg product, about 1.9 times the 2400 kWh/t of prior art quoted in EP2747883A1). The energy balance is not evaluable in core: no property package covers the liquid methanol / methyl formate / water / formic acid system and the liquid-reactor energy basis is not verified. Capacity, feed purities, reflux ratios and the purge fraction are assumed. cheme maturity reaches no calculation level (feeds and the hydrolysis and oxidiser conversions are assumed), so `maturity: concept` is claimed as the lowest level the manifest allows, not as evidence-backed (DESIGN.md D-014). Preliminary gate-to-gate LCI with every background unmapped (gaps). 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/formic-acid-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}