Acetyl chloride to storage

What it is

Unallocated foreground LCI of Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a), case design, derived from the flowsheet by cheme assess lca.

Reference product

1 kilogram of Acetyl chloride to storage (1.01325 bar(a), 30 degC, 99.6713 % ACCL (mole))

Chemical

acetyl-chloride

CAS

75-36-5

Code

acetyl-chloride-1:acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a:product:ACCL

Dataset

acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a version 0.1.0 · UUID 0ed674c6-7ffe-5a6b-b0d8-f81665c56e21

Activity UUID

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

Database

cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)

Process

Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a)

Geography

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

Time period

2026 · valid until 2031

Technology

Batch plant: phosphorus trichloride dosed over 2 h into acetic acid at 313 K (semi-batch, 1 mol per 3 mol), held to 0.95 conversion of the PCl3, the HCl of the acid's water vented through a brine condenser to a water scrubber; the lower phase (crude phosphorous acid) settled off, the upper phase distilled at atmospheric pressure in a batch still with a 10-stage column at reflux ratio 1; 1459.9 kg per batch, 1370 batches a year on a dedicated train · level current

Boundary

gate-to-gate foreground of the plant

Production volume

1,999,990 kg/a (product:ACCL per hour x operation.hours_per_year (7920 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

shares, 71.1 % of the dataset to this product (rule deviation, from study)

No prices are sourced at the concept stage: that the ratio of the prices per kg is below 5 is ASSUMED. If a sourced price ratio comes out above 5, the rule gives economic allocation and the acetyl chloride's share rises; a share of 1 (all burdens to the acetyl chloride, the crude acid free) is the conservative bound.

Rights

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

Exchanges per 1 kilogram of Acetyl chloride to storage

As exported: allocated and scaled to the reference product. Provenance: 8 assumed, 2 calculated. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Elementary flows

No elementary flows are exported for this activity (pass-through emissions and free inputs are left out, see the caveats).

The streams are the plant's own flows: an amount here is allocated and per 1 kilogram of Acetyl 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/acetyl-chloride-1/lca/dataset.yaml in library version a3c52e4.

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 2.7

TeR 3 · GeR 3 · TiR 1 · P 3.8 · 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: not-assessable
• lci-element-balance: not-assessable
• lci-mass-balance: closed

• element balance not assessable: no composition for consumable:nitrogen (no composition)
• carbon balance not assessable: no composition for consumable:nitrogen (no composition)

Change report

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

KPI benchmark positions

How to use it

Downloads

• cheme-as-code-atlas-preview-a3c52e4.xlsx · bw2io ExcelImporter workbook (bw2io 0.9 Excel layout) · the whole database
  code acetyl-chloride-1:acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a:product:ACCL
• cheme-as-code-atlas-preview-a3c52e4-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
  process 0ed674c6-7ffe-5a6b-b0d8-f81665c56e21 (processes/0ed674c6-7ffe-5a6b-b0d8-f81665c56e21.json) · the dataset's unallocated multi-output process; this product's allocation factor is in it
• cheme-as-code-atlas-preview-a3c52e4-multifunctional.json · Brightway 2.5 multifunctional database (JSON, for the multifunctional package) (cheme-as-code/lci-multifunctional/v1) · the whole database
  code acetyl-chloride-1:acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a · the dataset unallocated, with all its products; this product is its desired_code
• 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-a3c52e4.xlsx", background="ecoinvent-3.11-cutoff", location="DE")
activity = bd.get_activity(("cheme-as-code-atlas-preview-a3c52e4", "acetyl-chloride-1:acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a:product:ACCL"))

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

Acetyl chloride to storage, from Acetyl chloride by semi-batch reaction of acetic acid with PCl3, phase split and batch distillation (2000 t/a) (dataset acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity acetyl-chloride-1:acetyl-chloride-by-semi-batch-reaction-of-acetic-acid-with-pcl3-phase-split-and-batch-distillation-2000-t-a:product:ACCL. 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-a3c52e4.

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}
}

@misc{schweidtmann_cheme_as_code,
  author = {Schweidtmann, Artur M.},
  title = {{ChemE-as-Code: An Open-Source Platform for Agentic AI in Chemical Engineering}},
  year = {2026},
  eprint = {2611.07947},
  archivePrefix = {arXiv},
  doi = {10.48550/arXiv.2611.07947},
  url = {https://arxiv.org/abs/2611.07947}
}