Recommended citations

This file lists the software, data, and method references for pyToCE and the
attribution accompanying retained source material.
Cite the pyToCE version recorded with the result. CITATION.cff contains
the software citation metadata.

The plastics MFA uses REMIND-MFA version 0.2.0, commit
bf95c898e0f6f363196bccb62d34e02d82e4726b, and its input dataset revision
rev1.0.0_h12_1584d780_mfa.

Dürrwächter, J., Weiss, B., Schweiger, L., Zhang, Q., Benke, F., Hosak, M., &
Ueckerdt, F. (2025). REMIND-MFA input data (Version 1.0.0) [Data set]. Zenodo.
https://doi.org/10.5281/zenodo.18019915

REMIND-MFA repository: https://github.com/pik-piam/remind-mfa

Dürrwächter, J., Hosak, M., Weiss, B., & Ueckerdt, F. (2026). flodym: A
Python package for dynamic material flow analysis. Journal of Open Source
Software, 11(119), 10105. https://doi.org/10.21105/joss.10105

Prospective LCA uses ecoinvent 3.12, premise, Brightway, bw_timex, and
bw_temporalis. Cite the exact software versions recorded in the result manifest
and follow the ecoinvent license and citation requirements.

Sacchi, R., Terlouw, T., Siala, K., Dirnaichner, A., Bauer, C., Cox, B.,
Mutel, C., Daioglou, V., & Luderer, G. (2022).
PRospective EnvironMental Impact asSEment (premise): A streamlined approach to
producing databases for prospective life cycle assessment using integrated
assessment models. Renewable and Sustainable Energy Reviews, 160, 112311.
https://doi.org/10.1016/j.rser.2022.112311

Mutel, C. (2017). Brightway: An open source framework for Life Cycle
Assessment. Journal of Open Source Software, 2(12), 236.
https://doi.org/10.21105/joss.00236

Diepers, T., Müller, A., & Jakobs, A. (2026). bw_timex: A Python Package for
Time-Explicit Life Cycle Assessment. Journal of Open Source Software, 11(120),
9621. https://doi.org/10.21105/joss.09621

Mutel, C. (2025). bw_temporalis (Version 1.2.0) [Computer software].
https://github.com/brightway-lca/bw_temporalis

The EF v3.1 calculations use the licensed ecoinvent 3.12 LCIA implementation.
The 16-category selection follows Commission Recommendation (EU) 2021/2279,
Annex I, Table 2.

European Commission. (2021). Commission Recommendation (EU) 2021/2279 on the
use of the Environmental Footprint methods. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32021H2279

The PB-LCIA calculations use AESA (PBs-LCIA) version 0.9.2, branch ei_312,
commit 00003e27a04bfc5662bf561cf7a092ba5324d67c.

The following citation identifies the original archived software. Calculations
use the separately identified ecoinvent 3.12 adaptation above.

Tulus, V. (2023). Implementation of AESA methods for Brightway2 (v0.9.0).
https://doi.org/10.5281/zenodo.7575887

Chemical recycling is modeled using the hydrothermal treatment boundary and
the ecoinvent activities listed in the prepared provider tables.

Ozoemena, M. C., & Coles, S. R. (2023). Hydrothermal Treatment of Waste
Plastics: An Environmental Impact Study. Journal of Polymers and the
Environment, 31(7), 3120–3130. https://doi.org/10.1007/s10924-023-02792-3

In the plastic families Elastomers (tyres) and Others, the SBR processes use
the composition and processes listed in the prepared provider tables.

Berger, N. J., & Pfeifer, C. (2024). Evaluating the profitability and global
warming potential of manufacturing styrene-butadiene rubber with chemicals
synthesised from bulk waste plastic and CO2 emissions. Sustainable Production
and Consumption, 45, 408-428. https://doi.org/10.1016/j.spc.2024.01.017

Synthos. (2024). Synthos Rubber Brochure.
https://www.synthosgroup.com/wp-content/uploads/2024/03/March-2024-Synthos-Rubber-Brochure.pdf

Open burning and open dumping use the global uncollected waste estimates and
data from Cottom et al. (2024). The non-burned remainder uses the open-dump inventory.

Cottom, J. W., Cook, E., & Velis, C. A. (2024). A local-to-global emissions
inventory of macroplastic pollution. Nature, 633, 101-108.
https://doi.org/10.1038/s41586-024-07758-6

Cottom, J. W., Cook, E., & Velis, C. A. (2024). Data from: A local-to-global
emissions inventory of macroplastic pollution [Data set]. Dryad.
https://doi.org/10.5061/dryad.8cz8w9gxb

The DAC methane standard-volume conversion uses the NIST Chemistry WebBook,
Standard Reference Database 69, implementation of the methane equation of
state of Setzmann and Wagner (1991).

NIST Chemistry WebBook, SRD 69. https://doi.org/10.18434/T4D303

The fixed reference-gas net calorific value is 36 MJ per standard cubic meter
at 15 degrees Celsius and 1013 mbar. This is distinct from pure-methane density.

Meili, C., Jungbluth, N., & Bussa, M. (2021). Life cycle inventories of crude oil
and natural gas extraction. ESU-services, version 5.0, section 5.2.1, p. 13.
https://esu-services.ch/fileadmin/download/publicLCI/meili-2021-LCI%20for%20the%20oil%20and%20gas%20extraction.pdf

The adopted starch condition is 14 percent water by wet mass, following
Blanco et al. (2020). The same specification applies to synthetic technical amylose.

Blanco, J., Iglesias, J., Morales, G., Melero, J. A., & Moreno, J. (2020).
Comparative Life Cycle Assessment of Glucose Production from Maize Starch and
Woody Biomass Residues as a Feedstock. Applied Sciences, 10, 2946.
Section 2.2.1, p. 4. https://doi.org/10.3390/app10082946

The nominal maize-starch wastewater loading is 0.105 kg total phosphorus as P
per cubic meter. The constructed inventory retains the selected native
treatment chain and reports its additional phosphorus release separately.

Doka, G. (2003). Life Cycle Inventories of Waste Treatment Services, Part I:
General Introduction; Waste Material Compositions; Municipal Waste Collection.
Ecoinvent report No. 13, Part I, Tables A.17 and A.19, pp. 84 and 86.
https://www.doka.ch/13_I_WasteTreatmentGeneral.pdf

Setzmann, U., & Wagner, W. (1991). A New Equation of State and Tables of
Thermodynamic Properties for Methane Covering the Range from the Melting Line
to 625 K at Pressures up to 1000 MPa. Journal of Physical and Chemical
Reference Data, 20, 1061. https://doi.org/10.1063/1.555898
(via the NIST Chemistry WebBook methane-property implementation).

The ABS and SAN material and energy estimates use Eerens and van Dam (2022),
Sections 3.6 and 3.7, Tables 15 and 16. The provider tables document the
additional process and carbon-origin assumptions.

Eerens, H. C., & van Dam, D. (2022). Decarbonisation options for Large Volume
Organic Chemicals Production, DOW Chemical Terneuzen. PBL Netherlands
Environmental Assessment Agency and TNO Energy Transition. Publication 4883.
https://www.pbl.nl/downloads/pbl-2022-decarbonisation-options-for-large-volume-organic-chemicals-production-dow-terneuzen-4883pdf

The complete data-use notice for the USLCI ABS source identified by UUID
0e42a306-ee2d-362e-8bc3-580000096459 is distributed with the package.

U.S. Life Cycle Inventory Database. (2026). National Renewable Energy
Laboratory, version 1.2026-06.0. https://www.lcacommons.gov/nrel/search

Monitoring and target setting use allocated carrying capacities calculated
through the pyaesa tutorial workflow or supplied by the user.
Cite the source recorded in each `cc_authority` column. If pyaesa produced the
result, cite the exact pyaesa version recorded there. Use the citation guide in
the pyaesa workspace at `data_raw/methodological_notes/recommended_citations.txt`
for the UNCASExt article, Appendices B and C, and input-source citations.

de Bantel, E. I., Pirson, T., Puig-Samper, G., Hartmann, J. M., Bol, D.,
Bouillass, G., Yannou, B., Jankovic, M., & Hauschild, M. Z. (2026). UNCASExt:
A systematic computational framework for uncertainty propagation and scope
consistency in absolute environmental sustainability assessments (AESA).
Sustainable Production and Consumption, 69, 394–415. https://doi.org/10.1016/j.spc.2026.09.018

Additional references cited in the source comments

PlasticsEurope, Life Cycle and Sustainability working group. (2017).
PlasticsEurope recommendation on Steam Cracker allocation. 14 September 2017.
https://plasticseurope.org/wp-content/uploads/2021/12/PlasticsEurope_recommendation_on_Steam_Cracker_allocation-_Juillet_2018.pdf

National Development and Reform Commission, Ministry of Ecology and
Environment, & Ministry of Industry and Information Technology. (2018).
合成纤维制造业（锦纶6）清洁生产评价指标体系. Notice No. 17, dated
29 December 2018; posted 18 January 2019.
https://www.ndrc.gov.cn/xxgk/zcfb/gg/201901/t20190118_961216.html

南通九州新材料科技有限公司 (project owner). (2022). 锦纶长丝及锦纶布生产项目
建设项目环境影响报告表（污染影响类）. November 2022. Hosted by Haian government.
https://www.haian.gov.cn/hasspj/upload/d2f8d80b-5ba6-4df8-85d5-4cf96d7f3e1d.pdf

Michel, R. (1938), via Doka (2003), Part II, p. 88. Berechnung der
Verbrennungswärmen fester und flüssiger Brennstoffe nach den Wärmewerten ihrer
Einzelbestandteile. Feuerungstechnik, 26(9), 273–278. Source consulted: Doka (2003), Part II, p. 88.
https://www.doka.ch/13_II_WasteIncineration.pdf

Gendorf. (2000), via ecoinvent chemical-factory inventory documentation.
Umwelterklärung 2000, Werk Gendorf. Werk Gendorf, Burgkirchen. This is the
factory-infrastructure reference. The public ecoinvent 3.11 catalogue corroborates its bibliographic record.
https://ecoquery.ecoinvent.org/3.11/cutoff/dataset/3465

Gendorf operation data (2011–2015), via ecoinvent 3.12,
"sodium hydrogen sulfate production" activity metadata. This is the nitrogen
blanketing reference, distinct from the 2000 factory-infrastructure reference.

Polynt. (2025). New Life Cycle Assessment (LCA) Data Available for Unsaturated
Polyester (UP) and Vinyl Ester (VE) Resins. 13 January 2025. The producer
identifies EY as the study contractor and December 2024 as the dataset release.
https://www.polynt.com/en/news/lca-upr-e-ver/


Indirect source chains

The following references identify original publications through the consulted
source named after "via".

- Michel (1938), via Muñoz et al. (2007), Section 2.2.5, Eq. 9 and Table 5,
  supplies the generic kg-element heat coefficients. Explicit Doka report and
  WWcalc references retain their local carriers: Doka (2003), Part II, Section
  2.4.2, or Doka (2021), WWcalc DT18, as cited at the point of use.
  https://www.doka.ch/CEShumanExcretion07.pdf
- Downard et al. (2015), via Doka (2017), Section 4, pp. 6–7, supplies the
  tentative tire-fire particulate-size profile.
- Hirsinger and Schick (1995), via the selected ecoinvent 3.12 petrochemical
  fatty-alcohol-sulfate producer documentation, supplies the original inventory
  attribution.
- Chase (1998) review entries, via NIST Chemistry WebBook, SRD 69, supply the
  selected thermochemistry values. PA thermal-species calculations retain the
  separate CODATA water review entries, also via WebBook.
- Senko et al. (1995), via UCSF Protein Prospector, supplies the averagine
  reference.
- Genchel et al. (1973), via NIST Chemistry WebBook, SRD 69, supplies the
  titanium-butoxide thermochemical attribution, with the original citation
  details retained as listed by NIST.
- Althaus et al. (2007) and Gendorf (2000), via ecoinvent chemical-factory
  inventory documentation, identify the factory-infrastructure references.
  Gendorf operation data (2011–2015), via the ecoinvent 3.12 sodium-hydrogen-
  sulfate activity metadata, remain a separate nitrogen-blanketing reference.
- IFEU/PlasticsEurope (2021), via ecoinvent 3.12 activity documentation, identifies
  the ethylene-oxide eco-profile; the Swiss 2015 wood-adhesive formulation and
  Eurostat 2016 waste-market freight attribution are likewise via their selected
  ecoinvent 3.12 activity documentation.
- Setzmann and Wagner (1991), via NIST Chemistry WebBook's methane-property
  implementation, identifies the equation of state underlying the adopted NIST
  density value. The equation is reproduced through the cited secondary source.
- The American Chemistry Council (2022) ABS report is identified via consulted
  USLCI publication-source metadata. This retained attribution is separate from
  the sources used to construct the current pyToCE ABS inventory.
