{
  "document": "docs/benchmarks.md",
  "library": {
    "commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "dirty": false
  },
  "mode": "public",
  "results": [
    {
      "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]')",
      "process": "ammonia-1",
      "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]')",
      "process": "ammonia-1",
      "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
    },
    {
      "dataset": "asu-1-500-t-d-gox",
      "expression": "product:CW / product:GOXP",
      "family": "air-separation",
      "kpi": "cooling-duty-gox",
      "no_open_reference": "No open source found that states the cooling-water duty of a cryogenic air separation unit per t of oxygen product with its conditions: a web search of EU BREFs, IEA reports, open-access peer-reviewed papers and manufacturer literature on 2026-10-25 found compressor powers but no heat-rejection range. Most of the heat rejected is the compressors' shaft work (an energy balance, not a benchmark), so the KPI is reported without a range until a source is found. A second web search on 2026-10-30 (cooling-water consumption or heat rejection per t O2 of cryogenic ASUs) found none either.",
      "problem": "kWh/kg to GJ/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "asu-1",
      "reference": null,
      "status": "unchecked",
      "title": "Cooling-water duty (heat rejected) per t of gaseous oxygen product",
      "unit": "GJ/t",
      "value": null
    },
    {
      "dataset": "asu-1-500-t-d-gox",
      "expression": "1 - emission:O2 / ((feed:AIR - emission:H2O) * 0.2314)",
      "family": "air-separation",
      "kpi": "o2-recovery",
      "problem": "1 to % needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "asu-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "pressure": "approximately atmospheric",
          "product": "gaseous oxygen",
          "purity": "99.5 vol% O2",
          "technology": "cryogenic double column, typical state of the art",
          "year": 2009
        },
        "id": "pfaff-kather-2009",
        "note": "A single typical value (the paper cites it from its reference 6), recorded as a zero-width range: no open source found states a range, so every value differs from it and needs an out_of_range_reason. The paper defines recovery as the molar flow of O2 in the oxygen product per O2 entering with the air. The paper's conditions (near-atmospheric delivery; whether an argon column is present is not recorded here) differ from ASU-1's (30 barg GOX, no argon column). A second search on 2026-10-30 for an open source that states a recovery range (web search of open-access journals, OSTI and NETL reports, the Smith and Klosek 2001 review as hosted by NETL, which gives no number, and EIGA and manufacturer literature) found none whose text could be read and checked. Two leads, not adopted because the stated range was seen only in search-engine summaries, not in the text: Luberti, Capocelli and Santori (2026) On the energetics of oxygen separation from air, Chem. Eng. Sci. 320, 122660, doi:10.1016/j.ces.2025.122660 (open access, CC BY; the summary gives 83 to 99 % recovery at 95 to 99.6 % purity for cryogenic distillation; the full text could not be retrieved here), and Singla and Chowdhury (2021) Chem. Eng. Process. 162, 108354, doi:10.1016/j.cep.2021.108354 (not open access; the summary gives 90 to 95 % at above 99.5 % O2 without argon extraction, citing an earlier source). Check the Luberti et al. text and add it as a reference with its locator if it states the range (docs/benchmarks.md, ASU-1).",
        "range": [
          97.85,
          97.85
        ],
        "source": {
          "accessed": "2026-10-25",
          "citation": "Pfaff, I., Kather, A. (2009) Comparative thermodynamic analysis and integration issues of CCS steam power plants based on oxy-combustion with cryogenic or membrane based air separation. Energy Procedia 1:495-502, doi:10.1016/j.egypro.2009.01.066",
          "kind": "peer-reviewed",
          "locator": "p. 496, section 2.1",
          "url": "https://doi.org/10.1016/j.egypro.2009.01.066"
        }
      },
      "status": "unchecked",
      "title": "Oxygen recovery (O2 in the products per O2 in the air feed)",
      "unit": "%",
      "value": null
    },
    {
      "dataset": "asu-1-500-t-d-gox",
      "expression": "feed:POWER / product:GOXP",
      "family": "air-separation",
      "kpi": "specific-power-gox",
      "problem": "kWh/kg to kWh/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "asu-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "capacity": "330 to 770 t/d oxygen",
          "pressure": "up to 42 barg",
          "product": "gaseous oxygen, with GAN, LOX, LIN and argon as optional co-products",
          "purity": "99.5 to 99.8 % O2",
          "technology": "cryogenic, packaged standard ASU, internal compression of the products",
          "year": 2017
        },
        "id": "air-liquide-yango-2017",
        "note": "A manufacturer's published specification, not peer reviewed; it is independent of this library's datasets and the only open source found that states a range for high-purity oxygen at pipeline pressure. Per t of oxygen as the brochure states it (\"Specific energy: 400 to 600 kWh/t\"). The brochure does not say whether this is the whole plant's power or how co-product liquids and nitrogen compression count: basis unallocated is our interpretation, not a statement of the source. Replace or add a BREF, IEA or peer-reviewed range for these conditions when one is found. Rechecked 2026-10-30: the URL serves the brochure, and PDF page 8 states the range, purity, pressure and capacity recorded here. Open peer-reviewed figures for near-atmospheric delivery (e.g. about 0.25 kWh per kg O2 at 99.5 % in Pfaff and Kather 2009, Energy Procedia 1:495-502) do not apply to 30 barg and are single values, not ranges.",
        "range": [
          400,
          600
        ],
        "source": {
          "accessed": "2026-10-25",
          "citation": "Air Liquide Engineering & Construction (2017) Standard Plants: fully-packaged modular solutions, brochure, September 2017 (Yango standard air separation unit, specifications)",
          "kind": "manufacturer",
          "locator": "p. 8, Yango specifications (specific energy)",
          "url": "https://engineering-technologies.airliquide.com/sites/engineering/files/2022-09/air-liquide-e-c-standard-plants-september-2017.pdf"
        }
      },
      "status": "unchecked",
      "title": "Specific electric power per t of gaseous oxygen product",
      "unit": "kWh/t",
      "value": null
    },
    {
      "dataset": "cumene-zeolite-alkylation",
      "expression": "product:cumene / (feed:benzene + feed:propylene)",
      "family": "aromatics",
      "kpi": "cumene-overall-yield",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "cumene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "zeolite, with transalkylation of di-isopropylbenzene"
        },
        "id": "bref-lvoc-cumene-zeolite-yield",
        "note": "The LVOC BREF gives one value for zeolites, recorded as a zero-width range and not widened. It does not say on which basis the yield is stated; the mass basis is our reading.",
        "range": [
          0.99,
          0.99
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 2.1.1.5, p. 10",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Cumene per mass of benzene and propylene fed",
      "unit": "kg/kg",
      "value": null
    },
    {
      "dataset": "cumene-zeolite-alkylation",
      "expression": "feed:electricity / product:cumene",
      "family": "aromatics",
      "kpi": "cumene-specific-electricity",
      "no_open_reference": "No open source with a cumene electricity figure found (2026-11-01). Read: LVOC BREF section 2.1.1.5 (no utility data), the Versalis brochure (net steam only), the US EPA dataset doi:10.23719/1503030 (fuel, no electricity). Not readable: Luyben 2010, doi:10.1021/ie9011535 (HTTP 403). The dataset's value is core's Tier 0 default, ASSUMED.",
      "problem": "kWh/kg to kWh/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "cumene-1",
      "reference": null,
      "status": "unchecked",
      "title": "Electricity per t of cumene",
      "unit": "kWh/t",
      "value": null
    },
    {
      "dataset": "ethylbenzene-zeolite-liquid-phase",
      "expression": "feed:benzene / product:ethylbenzene",
      "family": "styrenics",
      "kpi": "eb-specific-benzene",
      "problem": "1 to t/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "ethylbenzene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "benzene alkylation with ethylene; source plants of Table 5.9: 2007-2011 averages, 2011, 2012",
          "year": 2012
        },
        "id": "bref-lvoc-eb-benzene",
        "range": [
          0.735,
          0.746
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 5.3.4.1, p. 280",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Benzene consumption per t of ethylbenzene",
      "unit": "t/t",
      "value": null
    },
    {
      "dataset": "ethylbenzene-zeolite-liquid-phase",
      "expression": "feed:ethylene / product:ethylbenzene",
      "family": "styrenics",
      "kpi": "eb-specific-ethylene",
      "problem": "1 to t/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "ethylbenzene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "benzene alkylation with ethylene; source plants of Table 5.9: 2007-2011 averages, 2011, 2012",
          "year": 2012
        },
        "id": "bref-lvoc-eb-ethylene",
        "range": [
          0.254,
          0.265
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 5.3.4.1, p. 280",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Ethylene consumption per t of ethylbenzene",
      "unit": "t/t",
      "value": null
    },
    {
      "dataset": "ethylbenzene-zeolite-liquid-phase",
      "expression": "(feed:electricity + feed:steam) / product:ethylbenzene",
      "family": "styrenics",
      "kpi": "eb-total-energy",
      "problem": "kWh/kg to kWh/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "ethylbenzene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "benzene alkylation with ethylene"
        },
        "id": "bref-lvoc-eb-total-energy",
        "note": "The source's total. It does not state exactly how it nets recovery; low-pressure steam production is not in its recovery figure. Not independent of the dataset, whose electricity and steam come from the same list.",
        "range": [
          760,
          2600
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 5.3.5, p. 282",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Electricity and steam per t of ethylbenzene",
      "unit": "kWh/t",
      "value": null
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "expression": "feed:BR2 / product:NBS",
      "family": "nitrogen-organics",
      "kpi": "nbs-specific-bromine",
      "no_open_reference": "No open source with a plant's or a pilot's bromine use per kg NBS found (searched 2026-11-05: Google Patents for the preparation of N-bromosuccinimide from succinimide, bromine and NaOH, US 2 971 960 read; PubChem CID 67184; web search for NBS production yields). Only the stoichiometric floor, 0.898 kg/kg, is known.",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "n-bromosuccinimide-1",
      "reference": null,
      "status": "unchecked",
      "title": "Bromine consumption per kg of N-bromosuccinimide",
      "unit": "kg/kg",
      "value": null
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "expression": "product:WW / product:NBS",
      "family": "nitrogen-organics",
      "kpi": "nbs-specific-wastewater",
      "no_open_reference": "No open source with the liquor volume of NBS manufacture found (searched 2026-11-05 as for nbs-specific-bromine); US 2 971 960 says only that the caustic route needs much water to wash the bromide out of the product, no amount.",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "n-bromosuccinimide-1",
      "reference": null,
      "status": "unchecked",
      "title": "Wastewater (mother liquor, wash and condensate) per kg of N-bromosuccinimide",
      "unit": "kg/kg",
      "value": null
    },
    {
      "dataset": "styrene-eb-dehydrogenation",
      "expression": "feed:ethylbenzene / product:styrene",
      "family": "styrenics",
      "kpi": "sm-specific-ethylbenzene",
      "problem": "1 to kg/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "styrene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "ethylbenzene dehydrogenation; source plants of Table 5.9: 2011 and a 2007-2011 average",
          "year": 2011
        },
        "id": "bref-lvoc-sm-eb",
        "range": [
          1040,
          1100
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 5.3.4.1, p. 281",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Ethylbenzene consumption per t of styrene",
      "unit": "kg/t",
      "value": null
    },
    {
      "dataset": "styrene-eb-dehydrogenation",
      "expression": "product:toluene / product:styrene",
      "family": "styrenics",
      "kpi": "sm-specific-toluene",
      "problem": "1 to kg/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "process": "styrene-1",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "ethylbenzene dehydrogenation"
        },
        "id": "bref-lvoc-sm-toluene",
        "range": [
          16,
          94
        ],
        "source": {
          "accessed": "2026-11-01",
          "citation": "Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304",
          "kind": "bref",
          "locator": "Section 5.3.6.2, p. 285",
          "url": "https://bureau-industrial-transformation.jrc.ec.europa.eu/sites/default/files/2019-11/JRC109279_LVOC_Bref.pdf"
        }
      },
      "status": "unchecked",
      "title": "Toluene by-product per t of styrene",
      "unit": "kg/t",
      "value": null
    }
  ],
  "schema": "cheme-as-code/benchmark-report/v1",
  "summary": {
    "by_status": {
      "unchecked": 14
    },
    "kpis": 14,
    "processes": {
      "ammonia-1": {
        "unchecked": 2
      },
      "asu-1": {
        "unchecked": 3
      },
      "cumene-1": {
        "unchecked": 2
      },
      "ethylbenzene-1": {
        "unchecked": 3
      },
      "n-bromosuccinimide-1": {
        "unchecked": 2
      },
      "styrene-1": {
        "unchecked": 2
      }
    }
  }
}