{
  "authors": [],
  "basis": {
    "capacity": "per tonne of PTA (the dataset's basis); no plant size"
  },
  "benchmarks": [
    {
      "dataset": "pta-px-air-oxidation",
      "expression": "product:terephthalic-acid / feed:p-xylene * 106.168 / 166.132",
      "family": "oxygenates",
      "kpi": "pta-px-yield",
      "problem": "1 to % needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "EU",
          "technology": "air oxidation of p-xylene in acetic acid (Eastman-based, GPT equipment), with post-oxidation",
          "year": 2016
        },
        "id": "midden-pta-yield",
        "note": "The report gives 98.3 % after oxidation and 98.9 % after post-oxidation, citing Zein et al. (2010, a Cairo University student report). It calls the first a conversion factor and does not say whether either is molar; the molar reading is ours. It is a yield of the reaction steps, not a plant's unit consumption. The same report supplies the dataset's electricity and steam, but not its p-xylene, so this reference is independent of the value it checks but not of the dataset as a whole.",
        "range": [
          98.3,
          98.9
        ],
        "source": {
          "accessed": "2026-11-05",
          "citation": "Tran, A. and West, K.J. (2021) Decarbonisation options for the Dutch bottle-grade PET industry. PBL Netherlands Environmental Assessment Agency and TNO (MIDDEN), PBL publication 4617",
          "kind": "government",
          "locator": "Section 2.3, pp. 13-14",
          "url": "https://pbl.nl/downloads/pbl-2021-decarbonisation-options-for-the-dutch-bottle-grade-pet-industry-4617pdf"
        }
      },
      "status": "unchecked",
      "title": "Terephthalic acid per p-xylene fed, as a share of the stoichiometric maximum",
      "unit": "%",
      "value": null
    },
    {
      "dataset": "pta-px-air-oxidation",
      "expression": "feed:acetic-acid / product:terephthalic-acid",
      "family": "oxygenates",
      "kpi": "pta-specific-acetic-acid",
      "problem": "1 to t/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "global",
          "technology": "p-xylene oxidation in acetic acid"
        },
        "id": "lbnl-pta-acetic-acid",
        "note": "The report's literature range (its references 86 to 88, among them AP-42 6.11 and Xu and Zhu 2008); it assumes 0.05 t/t itself.",
        "range": [
          0.04,
          0.09
        ],
        "source": {
          "accessed": "2026-11-05",
          "citation": "Karali, N., Khanna, N., Shah, N. (2024) Climate Impact of Primary Plastic Production. Lawrence Berkeley National Laboratory, LBNL-2001585",
          "kind": "government",
          "locator": "Section 2.3, p. 23",
          "url": "https://eta-publications.lbl.gov/sites/default/files/climate_and_plastic_report_final.pdf"
        }
      },
      "status": "unchecked",
      "title": "Acetic acid consumption per t of purified terephthalic acid",
      "unit": "t/t",
      "value": null
    },
    {
      "dataset": "pta-px-air-oxidation",
      "expression": "(feed:electricity + feed:steam) / product:terephthalic-acid",
      "family": "oxygenates",
      "kpi": "pta-specific-energy",
      "problem": "kWh/kg to GJ/t needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": {
        "basis": "unallocated",
        "conditions": {
          "region": "global",
          "technology": "PTA plants"
        },
        "id": "lbnl-pta-energy",
        "note": "The report's estimate of the energy intensity of PTA plants from its references 51, 82 and 83 (IEA 2013, Azarpour et al. 2022, Marczak 2022); it assumes 7.4 GJ/t itself. It does not say whether the range is final or primary energy, gross or net of recovered heat, or whether fuel is included, so it is a loose comparison for electricity plus steam.",
        "range": [
          5.3,
          9.7
        ],
        "source": {
          "accessed": "2026-11-05",
          "citation": "Karali, N., Khanna, N., Shah, N. (2024) Climate Impact of Primary Plastic Production. Lawrence Berkeley National Laboratory, LBNL-2001585",
          "kind": "government",
          "locator": "Section 2.3, p. 23",
          "url": "https://eta-publications.lbl.gov/sites/default/files/climate_and_plastic_report_final.pdf"
        }
      },
      "status": "unchecked",
      "title": "Electricity and steam per t of purified terephthalic acid",
      "unit": "GJ/t",
      "value": null
    }
  ],
  "chemistry": {
    "inputs": [
      {
        "chemical": "p-xylene",
        "grade": null,
        "inventory_key": "feed:p-xylene",
        "role": "feedstock"
      },
      {
        "chemical": "acetic-acid",
        "grade": null,
        "inventory_key": "feed:acetic-acid",
        "note": "solvent make-up; linked to acetic-acid-1 (lca/mappings.yaml)",
        "role": "feedstock"
      },
      {
        "chemical": "air",
        "grade": null,
        "note": "process air, free; its O2 is feed:O2",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:water",
        "note": "demineralised water",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "terephthalic-acid",
        "grade": null,
        "inventory_key": "product:terephthalic-acid",
        "role": "main-product"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "inventory_key": "emission:CO2",
        "note": "burnt p-xylene and acetic acid, from the carbon balance",
        "role": "emission"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "output:wastewater",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:electricity",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:steam",
        "note": "counted as heat delivered; the IEA's best-practice value for PTA (route not named, hydropurification ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "",
  "design_basis": null,
  "engineering": null,
  "facets": {
    "feedstock_basis": [
      "fossil"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "crystallization",
      "filtration",
      "drying",
      "distillation"
    ]
  },
  "families": [
    "oxygenates"
  ],
  "gap_count": 5,
  "gates": null,
  "id": "terephthalic-acid-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aterephthalic-acid-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aterephthalic-acid-1&process=terephthalic-acid-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "terephthalic acid",
    "PTA",
    "p-xylene",
    "air oxidation",
    "acetic acid",
    "hydropurification",
    "PET"
  ],
  "lca": null,
  "lci_gaps": [
    {
      "dataset": "pta-px-air-oxidation",
      "key": "feed:p-xylene",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "pta-px-air-oxidation",
      "key": "input:cobalt-catalyst",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "pta-px-air-oxidation",
      "key": "input:manganese-catalyst",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "pta-px-air-oxidation",
      "key": "output:residue",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "pta-px-air-oxidation",
      "key": "emission:PM",
      "link": "biosphere",
      "type": "emission"
    }
  ],
  "maintainers": [],
  "maturity": "concept",
  "preliminary": true,
  "provenance": {
    "library_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174",
    "previews": null,
    "previews_stale": false,
    "source_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174"
  },
  "publication": {
    "license": "CC-BY-4.0",
    "status": "public"
  },
  "references": [
    {
      "title": "CNPC and China Kunlun Contracting and Engineering Corp. (2015) PTA production method with low energy consumption, low material consumption and low refuse discharge. Patent CN105001073A, published 2015-10-28",
      "url": "https://patents.google.com/patent/CN105001073A/en"
    },
    {
      "title": "Tran, A. and West, K.J. (2021) Decarbonisation options for the Dutch bottle-grade PET industry. PBL Netherlands Environmental Assessment Agency and TNO (MIDDEN), PBL publication 4617",
      "url": "https://www.pbl.nl/en/publications/decarbonisation-options-for-the-dutch-bottle-grade-pet-industry"
    },
    {
      "title": "US EPA (1983, reformatted 1995) AP-42, Compilation of Air Pollutant Emission Factors, 5th ed., section 6.11 Terephthalic Acid",
      "url": "https://www.epa.gov/sites/default/files/2020-10/documents/c06s11.pdf"
    },
    {
      "doi": "10.2760/77304",
      "title": "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 (JRC109279), section 2.1.2.3.8"
    },
    {
      "title": "Karali, N., Khanna, N., Shah, N. (2024) Climate Impact of Primary Plastic Production. Lawrence Berkeley National Laboratory, LBNL-2001585",
      "url": "https://eta-publications.lbl.gov/sites/default/files/climate_and_plastic_report_final.pdf"
    },
    {
      "title": "Saygin, D., Patel, M.K., Tam, C., Gielen, D.J. (2009) Chemical and Petrochemical Sector: Potential of best practice technology and other measures for improving energy efficiency. IEA Information Paper, OECD/IEA, Tables 1 and 13",
      "url": "https://iea.blob.core.windows.net/assets/c2d071e4-4142-44f1-8a41-88ece29be439/ChemicalandPetrochemicalSector.pdf"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/terephthalic-acid-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [],
  "summary": "Sourced conceptual inventory per tonne of PTA: feeds from a patent's figures for conventional plants, electricity from one EU plant's estimate, steam from the IEA's best-practice value, vent emissions from US EPA AP-42, CO2, water and oxygen from element balances. No flowsheet; not reviewed.",
  "title": "Purified terephthalic acid by air oxidation of p-xylene in acetic acid and hydropurification",
  "validation": {
    "status": "unreviewed"
  },
  "viewer": null
}