{
  "authors": [],
  "basis": {
    "capacity": "1500 t/d contained NH3 as refrigerated liquid (issue #304 proposed brief)",
    "location": "hypothetical Rotterdam-area site (no site data used)",
    "operating_hours_per_year": 8000
  },
  "benchmarks": [
    {
      "dataset": "ammonia-from-natural-gas-1500-t-d-steam-reforming-air-fed-secondary-reformer-haber-bosch-loop",
      "expression": "emission:CO2 / product:NH3",
      "family": "ammonia",
      "kpi": "direct-co2-total",
      "problem": "1 to t/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "product": "anhydrous ammonia",
          "region": "global",
          "technology": "natural gas steam methane reforming, best available technology, without CCS",
          "year": 2021
        },
        "id": "iea-2021-smr-bat-direct-co2",
        "note": "A single value as a zero-width range. The same report's world average over all routes, about 2.4 t CO2/t (executive summary), includes coal-based production and does not apply.",
        "range": [
          1.8,
          1.8
        ],
        "source": {
          "accessed": "2026-10-29",
          "citation": "IEA (2021) Ammonia Technology Roadmap: Towards more sustainable nitrogen fertiliser production. International Energy Agency, Paris",
          "kind": "iea",
          "locator": "Chapter 1, table \"Energy needs to produce one tonne of ammonia for each route using BAT\", row Natural gas SMR, column Direct CO2 intensity (PDF p. 35)",
          "url": "https://www.iea.org/reports/ammonia-technology-roadmap"
        }
      },
      "status": "unchecked",
      "title": "Total direct CO2 emitted per t of ammonia (process plus combustion)",
      "unit": "t/t",
      "value": null
    },
    {
      "dataset": "ammonia-from-natural-gas-1500-t-d-steam-reforming-air-fed-secondary-reformer-haber-bosch-loop",
      "expression": "product:CO2V * 0.978874105 / product:NH3",
      "family": "ammonia",
      "kpi": "process-co2",
      "problem": "1 to t/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "product": "anhydrous ammonia",
          "region": "EU",
          "technology": "steam/air reforming of natural gas, depending on the degree of air reforming",
          "year": 2007
        },
        "id": "bref-lvic-aaf-process-co2",
        "range": [
          1.15,
          1.4
        ],
        "source": {
          "accessed": "2026-10-29",
          "citation": "European Commission, JRC/EIPPCB (2007) Reference Document on Best Available Techniques for the Manufacture of Large Volume Inorganic Chemicals - Ammonia, Acids and Fertilisers (LVIC-AAF BREF), adopted August 2007; document BS/EIPPCB/LVIC-AAF_BREF_FINAL dated December 2006",
          "kind": "bref",
          "locator": "Chapter 2, Section 2.2.2.2 (Carbon dioxide), p. 38 (1.15-1.40 kg/kg NH3, combustion gases not included)",
          "url": "https://eippcb.jrc.ec.europa.eu/reference/large-volume-inorganic-chemicals-ammonia-acids-and-fertilisers"
        }
      },
      "status": "unchecked",
      "title": "Process CO2 generated per t of ammonia (excluding combustion flue gas)",
      "unit": "t/t",
      "value": null
    }
  ],
  "chemistry": {
    "inputs": [
      {
        "chemical": "methane",
        "grade": null,
        "inventory_key": "feed:NG",
        "note": "Natural gas (94.7 mol% CH4, plus ethane, propane, CO2, N2; representative pipeline gas, D-040), feed and furnace fuel. The registry has no natural-gas entry yet",
        "role": "feedstock"
      },
      {
        "chemical": "air",
        "grade": null,
        "inventory_key": "feed:AIR",
        "note": "Process air (nitrogen source, secondary reformer) and combustion air",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:DMW",
        "note": "Demineralised water make-up to the steam system and the CO2 removal",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "ammonia",
        "grade": null,
        "inventory_key": "product:NH3",
        "note": "Liquid ammonia, refrigerated, to the battery limit",
        "role": "main-product"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "inventory_key": "product:CO2V",
        "note": "Process CO2 from the aMDEA regenerator, vented (no CCS, no urea)",
        "role": "emission"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "inventory_key": "product:STACK",
        "note": "Combustion CO2 in the reformer furnace flue gas",
        "role": "emission"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "product:STEAM",
        "note": "MP steam export 4600 kPa(a), 673 K",
        "role": "co-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:BD",
        "note": "Boiler blowdown",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "All compressors, fans and pumps (ASSUMED electric drives)",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Natural gas (an assumed benchmark lean gas) is desulfurised, mixed with steam (steam to\ncarbon 3.0) and reformed in a prereformer, a fired primary reformer and an air-blown\nsecondary reformer whose process air brings the nitrogen for a 3:1 H2/N2 synthesis gas.\nHigh- and low-temperature shift convert the CO; the CO2 is absorbed in activated MDEA and\nvented; methanation removes the last carbon oxides and molecular sieves dry the gas. The\nsynthesis gas is compressed to about 150 bar and converted on promoted iron in a three-bed\nconverter; ammonia condenses against cooling water and refrigeration, the purge and flash\ngases pass an NH3 wash and cryogenic hydrogen recovery, and the tail gas fuels the reformer.\nWaste heat raises MP steam for the process and for export; all machines are electric.\n\nThe reactors are equilibrium (reformers, shifts, converter with Peng-Robinson fugacity) or\ncomplete-conversion models calculated by cheme; separators, CO2 removal, purge recovery,\nsteam system and duties come from an independent balance script whose property methods are\nnot qualified by ChemE-as-Code for these mixtures. All values are concept\nestimates; see DESIGN.md of the engineering files.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED feed: benchmark lean natural gas (D-004), open input I-01.",
      "ASSUMED reforming: steam to carbon 3.0, adiabatic prereformer at 773 K, primary reformer outlet 1083 K / 3500 kPa(a), secondary reformer adiabatic with process air at 773 K, equilibrium approach 10 K (D-005, D-007).",
      "ASSUMED shift: HTS inlet 643 K, LTS inlet 478 K, equilibrium approach 10 K (D-008).",
      "ASSUMED CO2 removal: activated MDEA, 500 ppmv CO2 slip, regeneration 1.0 MJ/kg CO2, solvent pumping 21 kWh/t CO2 (D-009).",
      "ASSUMED synthesis loop: 14,600-15,500 kPa(a), converter outlet 703 K at equilibrium approach 15 K (Peng-Robinson fugacity), 12 mol% inerts at the converter inlet, separator 263 K (D-011).",
      "ASSUMED purge recovery: NH3 99 %, H2 90 % recovered (D-013); furnace 10 % excess O2, bridgewall 1323 K, stack 423 K, 1.5 % casing loss (D-014).",
      "ASSUMED compressor isentropic efficiency 0.78 per stage, refrigeration at 0.55 of Carnot (D-016, D-017).",
      "All flows, temperatures and duties are concept estimates on ideal-gas enthalpies and an unqualified Peng-Robinson flash (D-006); accuracy not stated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "Concept design of a 1500 t/d natural-gas ammonia plant (steam reforming, air-fed secondary reformer, shift, aMDEA CO2 removal, methanation, Haber-Bosch loop, purge recovery); issue ChemE-as-Code/process-library#304.",
    "name": "Ammonia (natural-gas Haber-Bosch)",
    "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",
      "atmospheric",
      "water"
    ],
    "product_classes": [
      "fertilizers",
      "chemicals"
    ],
    "region": "EU",
    "unit_operations": [
      "reaction",
      "compression",
      "heat-exchange",
      "absorption",
      "adsorption",
      "flash",
      "refrigeration"
    ]
  },
  "families": [
    "ammonia"
  ],
  "gap_count": 0,
  "gates": {
    "checks": [
      {
        "id": "design-basis",
        "stage": "concept",
        "status": "pass",
        "title": "Design basis exists"
      },
      {
        "id": "concept-lists",
        "stage": "concept",
        "status": "pass",
        "title": "Design decisions and the equipment, line and instrument lists exist"
      },
      {
        "id": "process-concept",
        "stage": "concept",
        "status": "pass",
        "title": "Materials and flowsheet exist (the BFD is generated by cheme process build)"
      },
      {
        "id": "process-balances",
        "stage": "concept",
        "status": "pass",
        "title": "Every block balance is evaluable and clean, the BFD current"
      },
      {
        "id": "process-links-concept",
        "stage": "concept",
        "status": "pass",
        "title": "Process links resolve (reported only)"
      },
      {
        "id": "process-basic",
        "stage": "basic",
        "status": "pass",
        "title": "PFD generated for the design case, process rules clean, no stale calculated values"
      },
      {
        "id": "process-links",
        "stage": "basic",
        "status": "pass",
        "title": "Every process link resolves against the lists and sheets"
      },
      {
        "id": "assumptions-marked",
        "stage": "concept",
        "status": "pass",
        "title": "Assumed values are marked ASSUMED in the design basis"
      },
      {
        "id": "pids-valid",
        "stage": "basic",
        "status": "pass",
        "title": "Every P&ID and list validates"
      },
      {
        "id": "drawing-clean",
        "stage": "basic",
        "status": "pass",
        "title": "No line through a label, crossing, overlapping or misplaced label left unaccepted"
      },
      {
        "id": "pids-exist",
        "stage": "basic",
        "status": "pass",
        "title": "At least one P&ID sheet"
      },
      {
        "id": "design-review",
        "stage": "basic",
        "status": "pass",
        "title": "A current, independent design review is recorded"
      },
      {
        "id": "layout-plot-plan",
        "stage": "concept",
        "status": "pass",
        "title": "Plot plan - site, areas, roads, racks, every item placed, separations declared"
      },
      {
        "id": "layout-3d",
        "stage": "basic",
        "status": "pass",
        "title": "3D model current, nozzles resolved, elevated items mounted, process lines routed or skipped, no clashes, zones declared, plan and sections reviewed"
      },
      {
        "id": "lifting-study",
        "stage": "basic",
        "status": "pass",
        "title": "Lifting study - every heavy item has a crane, a clear lane and a laydown"
      },
      {
        "id": "mto",
        "stage": "basic",
        "status": "pass",
        "title": "Material take-off current with the 3D model"
      },
      {
        "id": "tea",
        "stage": "basic",
        "status": "pass",
        "title": "TEA priced, of the project's own premises, and current"
      },
      {
        "id": "maturity-balanced",
        "stage": "basic",
        "status": "pass",
        "title": "The conceptual PFD is sourced and balanced"
      },
      {
        "id": "layout-review",
        "stage": "basic",
        "status": "pass",
        "title": "A current, independent layout review is recorded"
      },
      {
        "id": "relief-on-pid",
        "stage": "basic",
        "status": "pass",
        "title": "Relief devices drawn and connected"
      },
      {
        "id": "issues-concept",
        "stage": "concept",
        "status": "n/a",
        "title": "No open item to close before the concept gate"
      },
      {
        "id": "issues-basic",
        "stage": "basic",
        "status": "n/a",
        "title": "No open item to close before the basic engineering gate"
      }
    ],
    "counts": {
      "n/a": 2,
      "pass": 20
    },
    "total": 22
  },
  "id": "ammonia-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aammonia-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aammonia-1&process=ammonia-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aammonia-1&process=ammonia-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aammonia-1&process=ammonia-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aammonia-1&process=ammonia-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aammonia-1&process=ammonia-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aammonia-1&process=ammonia-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "ammonia",
    "Haber-Bosch",
    "steam methane reforming",
    "secondary reformer",
    "water-gas shift",
    "aMDEA",
    "CO2 removal",
    "methanation",
    "synthesis loop",
    "purge gas recovery",
    "refrigeration",
    "natural gas"
  ],
  "lca": {
    "allocation": "exergy",
    "backend": "factors",
    "boundary": "gate-to-gate",
    "categories": [
      {
        "id": "climate-change",
        "method": "GWP100",
        "title": "Climate change",
        "unit": "kg CO2-eq"
      }
    ],
    "contributions": [
      {
        "basis": "ipcc2021-gwp100 (124-38-9, air, fossil)",
        "category": "climate-change",
        "impact": 1.4648,
        "key": "emission:CO2",
        "phase": "operation",
        "share": 1.0,
        "status": "PUBLISHED"
      },
      {
        "basis": "ipcc2021-gwp100 (74-82-8, air, fossil)",
        "category": "climate-change",
        "impact": 1.93127e-08,
        "key": "emission:CH4",
        "phase": "operation",
        "share": 0.0,
        "status": "PUBLISHED"
      }
    ],
    "data_sources": [],
    "factors_status": "published",
    "functional_unit": {
      "amount": 1,
      "chemical": "ammonia",
      "grade": null,
      "label": "1 kg ammonia",
      "product": "NH3",
      "product_name": "Ammonia",
      "product_title": "Liquid ammonia product (refrigerated, to the battery limit)",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of refrigerated liquid ammonia from a conventional natural-gas plant (1500 t/d, concept stage): the foreground exchanges per kg NH3 from the balanced flowsheet, ready to be linked to background datasets later. No impact result is claimed: every background exchange is an open gap (D-020).",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:NG",
        "kind": "material",
        "phase": "operation",
        "provenance": "given",
        "quantity": 0.536386,
        "title": "Natural gas (feed and fuel)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:AIR",
        "kind": "material",
        "phase": "operation",
        "provenance": "given",
        "quantity": 3.56125,
        "title": "Ambient air (process air and combustion air)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:DMW",
        "kind": "material",
        "phase": "operation",
        "provenance": "given",
        "quantity": 1.653,
        "title": "Demineralised water make-up",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.553318,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:NH3",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.0,
        "title": "Liquid ammonia product (refrigerated, to the battery limit)",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CO2V",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.1177,
        "title": "Process CO2 from the regenerator, vented",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:STACK",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 2.68673,
        "title": "Reformer furnace flue gas to stack",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:STEAM",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0201,
        "title": "MP steam export (4600 kPa(a), 673 K)",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:BD",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0471687,
        "title": "Boiler blowdown",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.05453,
        "title": "Cooling water return",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "emission:AR",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.045667,
        "title": "AR to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:C2H6",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0,
        "title": "C2H6 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:C3H8",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0,
        "title": "C3H8 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CH4",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 6.48077e-10,
        "title": "CH4 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.77234e-08,
        "title": "CO to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:CO2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.4648,
        "title": "CO2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:H2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 8.77575e-07,
        "title": "H2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:H2O",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.321754,
        "title": "H2O to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:N2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.91962,
        "title": "N2 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:NH3",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0,
        "title": "NH3 to the environment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "emission:O2",
        "kind": "emission",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0525743,
        "title": "O2 to the environment",
        "unit": "kg"
      }
    ],
    "no_total": {},
    "not_computed": [],
    "pcf": [],
    "publishable": true,
    "result": {
      "classification": "partial",
      "gaps": 5,
      "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": {
        "climate-change": 1.4648
      }
    },
    "withheld_reason": null
  },
  "lci_gaps": [],
  "maintainers": [
    {
      "name": "Artur Schweidtmann"
    }
  ],
  "maturity": "concept",
  "preliminary": false,
  "provenance": {
    "library_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "previews": {
      "sheets": [
        "BFD",
        "PFD",
        "P-101",
        "P-102",
        "P-103",
        "P-104",
        "P-105",
        "P-106",
        "P-107",
        "P-108",
        "P-109",
        "P-110",
        "P-111",
        "P-112",
        "P-113",
        "P-114"
      ],
      "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 (2007) Reference Document on Best Available Techniques for the Manufacture of Large Volume Inorganic Chemicals - Ammonia, Acids and Fertilisers (LVIC-AAF BREF), chapter 2 (route and boundary guide only)",
      "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2022-03/LVIC-AAF.pdf"
    },
    {
      "doi": "10.1002/14356007.o02_o11",
      "title": "Appl, M. Ammonia, 2. Production Processes. Ullmann's Encyclopedia of Industrial Chemistry (chapter identity only; not read in this run)"
    },
    {
      "title": "IEA (2021) Ammonia Technology Roadmap (context; not used for values)",
      "url": "https://www.iea.org/reports/ammonia-technology-roadmap"
    }
  ],
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  "title": "Ammonia from natural gas (1500 t/d, steam reforming with air-fed secondary reformer, Haber-Bosch loop)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances on every block and step (cheme validate, cheme process streams). Reactor outlets are calculated by cheme (equilibrium and conversion models from its reaction library); the separators, CO2 removal, purge recovery, steam system and all duties are specified values from scripts/plant_balance.py (ideal-gas enthalpies, thermo Peng-Robinson flash with ChemSep kij, IAPWS-IF97 steam) that core cannot qualify for syngas/ammonia/water mixtures. Energy closure is not evaluable in core. The feeds are a representative specification approved by the owner for this paper case study (S5c, I-006, D-040): a published typical pipeline gas (Enbridge), NASA dry air, IAPWS make-up water. Not reviewed. Main products and feeds are listed under chemistry with their chemicals registry entries (issue #251). `cheme maturity` reaches calculation maturity balanced (S5c, D-040; predictive fails on the excluded steps, specified splits and the property claim); concept is the lowest manifest value (DESIGN.md D-019). The LCA result is gate-to-gate direct fossil CO2 only, not a carbon footprint: every background is still a gap (D-020).",
    "status": "unreviewed"
  },
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}
