Thionyl chloride to storage

What it is

Unallocated foreground LCI of Thionyl chloride from sulfur, chlorine and SO2 over activated carbon (3.75 t/h), case design, derived from the flowsheet by cheme assess lca.

Reference product

1 kilogram of Thionyl chloride to storage (liquid, 3 bar(a), 35 degC, 99.7082 % SOCL2 (mole))

Chemical

thionyl-chloride

CAS

7719-09-7

Code

thionyl-chloride-1:thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h:product:SOCL2

Dataset

thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h version 0.1.0 · UUID a4ec4b4d-4699-558f-bec8-12c115b734cd

Activity UUID

not available (the library assigns none; use the code)

Database

cheme-as-code-atlas-preview-c3ab348 (version preview-c3ab348)

Process

Thionyl chloride from sulfur, chlorine and SO2 over activated carbon (3.75 t/h)

Geography

GLO · background inputs with a site rule link at the user's site location (default DE)

Time period

2026 · valid until 2031

Technology

Sulfur chlorinated to S2Cl2/SCl2 in the boundary; SCl2 + SO2 + Cl2 over activated carbon at 398-473 K; condensation, degassing and SO2/Cl2 recycle; distillation with sulfur; caustic purge scrubber; 3.75 t/h thionyl chloride · level current

Boundary

gate-to-gate foreground of the plant

Production volume

30,000,000 kg/a (product:SOCL2 per hour x operation.hours_per_year (8000 h/a))

Classification

ISIC Rev.4 2011 (taxonomy/families.yaml (ISIC Rev.4) of the process's families)

System model

attributional, cut-off (docs/system-model.md, methodology 1.1.0)

Allocation

mass, 100 % of the dataset to this product (rule single-output, from default)

one product: nothing to allocate

Rights

CC-BY-4.0: the ChemE-as-Code process library's own concept design (LICENSE-DATA)

Exchanges per 1 kilogram of Thionyl chloride to storage

As exported: allocated and scaled to the reference product. Provenance: 15 assumed. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Elementary flows

The streams are the plant's own flows: an amount here is allocated and per 1 kilogram of Thionyl chloride to storage, so it differs from the stream's flow, and it can sum several streams.

Where these numbers come from: each exchange names its source above; the dataset is processes/thionyl-chloride-1/lca/dataset.yaml in library version c3ab348.

Used by

No other activity of this database links to it.

How good it is

Review

Not reviewed: no LCI review record yet

Data quality

DQR 2.33 · PEF-style DQR 2.75

TeR 3 · GeR 3 · TiR 1 · P 4 · C 4 · weakest TeR · primary data 0 %

Mass and carbon closure

Assessed (lca/manifest.json balance, tolerance 5 %: design maturity concept (sourced screening))

• lci-carbon-origin: closed
• lci-element-balance: closed
• lci-mass-balance: closed

Change report

Not available: this build has no change report against an earlier release.

KPI benchmark positions

Not available: no benchmarked KPI for this dataset.

How to use it

Downloads

• cheme-as-code-atlas-preview-c3ab348.xlsx · bw2io ExcelImporter workbook (bw2io 0.9 Excel layout) · the whole database
  code thionyl-chloride-1:thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h:product:SOCL2
• cheme-as-code-atlas-preview-c3ab348-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
  process a4ec4b4d-4699-558f-bec8-12c115b734cd (processes/a4ec4b4d-4699-558f-bec8-12c115b734cd.json)
• cheme-as-code-atlas-preview-c3ab348-multifunctional.json · Brightway 2.5 multifunctional database (JSON, for the multifunctional package) (cheme-as-code/lci-multifunctional/v1) · the whole database
  code thionyl-chloride-1:thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h:product:SOCL2
• cheme_as_code_lci-0.1.0-py3-none-any.whl · the installer

A file with this activity alone is not available: each file above is the whole database, and the line under it says how to find this activity there.

import bw2data as bd
from cheme_as_code_lci import install

bd.projects.set_current("my-project")   # holds your licensed background + biosphere3
install("cheme-as-code-atlas-preview-c3ab348.xlsx", background="ecoinvent-3.11-cutoff", location="DE")
activity = bd.get_activity(("cheme-as-code-atlas-preview-c3ab348", "thionyl-chloride-1:thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h:product:SOCL2"))

While any exchange of the database has no mapping, install() writes nothing and only lists the unlinked exchanges. So the last line finds no activity until the gaps are mapped: the download section gives the ways to use the database now.

How to cite

Thionyl chloride to storage, from Thionyl chloride from sulfur, chlorine and SO2 over activated carbon (3.75 t/h) (dataset thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h 0.1.0), ChemE-as-Code Process Atlas LCI database preview-c3ab348, activity thionyl-chloride-1:thionyl-chloride-from-sulfur-chlorine-and-so2-over-activated-carbon-3.75-t-h:product:SOCL2. Cite the Process Atlas paper (in preparation, 2026), by Artur M. Schweidtmann and Jana M. Weber, and the ChemE-as-Code Process Atlas LCI database version preview-c3ab348.

DOI: none yet (the Process Atlas paper is in preparation)

@unpublished{schweidtmann_process_atlas,
  author = {Schweidtmann, Artur M. and Weber, Jana M.},
  title = {{Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title)}},
  year = {2026},
  url = {https://atlas.cheme-as-code.org},
  note = {in preparation}
}

@unpublished{schweidtmann_cheme_as_code,
  author = {Schweidtmann, Artur M.},
  title = {{ChemE-as-Code: An Open-Source Platform for AI-Accelerated Chemical Process Engineering (working title)}},
  year = {2026},
  url = {https://cheme-as-code.org},
  note = {in preparation}
}