Carbon tetrabromide crystals to packing

Activity Carbon tetrabromide by semi-batch haloform bromination of acetone in aqueous hypobromite (314 t/a), GLO: the inventory of 1 kilogram of its reference product, attributional, cut-off.

Calculation maturity: not assessed Design maturity: Concept (research)Not independently reviewedcarbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4PPreliminaryReport a problem with this dataset

Research outputAn inventory from a research design at the design maturity its process states, not verified plant data: check its calculation maturity and review status before use. Background activities are referenced by name only; no background data is included. All caveats

What it is

Unallocated foreground LCI of Carbon tetrabromide by semi-batch haloform bromination of acetone in aqueous hypobromite (314 t/a), case design, derived from the flowsheet by cheme assess lca.

Reference product: 1 kilogram of Carbon tetrabromide crystals to packing (1.01325 bar(a), 30 degC, 96.904 % CBR4_S (mole))
Chemical: carbon-tetrabromide
CAS: 558-13-4
Code: carbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4P
Dataset: carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a version 0.1.0 · UUID a7ef0fb4-f65e-5325-b145-dbc42d0345e3
Activity UUID: not available (the library assigns none; use the code)
Database: cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)
Process: Carbon tetrabromide by semi-batch haloform bromination of acetone in aqueous hypobromite (314 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: bromine dosed over 1.7 h into dilute caustic soda at 278 K (sodium hypobromite, semi-batch), acetone dosed over 4.5 h into the cold hypobromite with tetrabutylammonium bromide (haloform reaction, semi-batch), CBr4 precipitated, filtered, reslurry-washed with water and vacuum-dried at 308 K in two agitated filter-dryers; 450.91 kg per batch, 696 batches a year on a dedicated train · level current
Boundary: gate-to-gate foreground of the plant
Production volume: 313,881 kg/a (product:CBR4P 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: 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 Carbon tetrabromide crystals to packing

As exported: allocated and scaled to the reference product. Provenance: 13 assumed, 1 calculated. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Preliminary4 exchanges are not yet linked to a background dataset. They count no burden, so the inventory is incomplete: do not read a result from it as complete.

Input	Amount	Unit	Provenance	Pedigree	Linked to
Process water (dilution) feed:PW flowsheet stream S1 (D-004) From stream S1	3.803	kilogram	assumed	4 4 1 3 3	market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Caustic soda 50 wt% (chlor-alkali-1) feed:NAOH flowsheet stream S2 (D-004) From stream S2	2.148	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Chlor-alkali by membrane-cell electrolysis (100 kt/a Cl2, 50 wt-% caustic soda, hydrogen) (Sodium hydroxide, Caustic soda 50 wt-% to storage, GLO) compatible: grade the input names sodium-hydroxide only; sodium-hydroxide (Sodium hydroxide, Caustic soda 50 wt-% to storage) is taken; unit kilogram; system model cutoff (one database); allocation shares (deviation); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Tetrabutylammonium bromide (phase-transfer catalyst, merchant) feed:TBAB flowsheet stream S3 (D-004) From stream S3	0.009755	kilogram	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (chemical 'tetrabutylammonium-bromide'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Liquid bromine (bromine-1) feed:BR2 flowsheet stream S5 (D-004) From stream S5	1.951	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Bromine from bromide brine by chlorine oxidation and steaming-out (Smackover-type brine) (Bromine, dry (99.96 wt-% Br2) to storage, GLO) compatible: grade the input names bromine only; bromine (Bromine, dry (99.96 wt-% Br2) to storage) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Acetone (acetone-1) feed:ACET flowsheet stream S7 (D-004) From stream S7	0.1861	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol) (Acetone product, GLO) compatible: grade the input names acetone only; acetone (Acetone product) is taken; unit kilogram; system model cutoff (one database); allocation mass (deviation); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Process water (cake wash) feed:WASHW flowsheet stream S12 (D-007) From stream S12	1.951	kilogram	assumed	4 4 1 3 3	market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Electric power feed:POWER flowsheet energy streams P1 (M-101 agitator), P2 (R-101 agitator) and P3 (filter-dryers' agitators and vacuum pump), D-009 electricity From streams P1, P2, P3	0.2297	kilowatt hour	assumed	4 4 1 3 3	market for electricity, medium voltage (electricity, medium voltage, DE, site location) in your background (default ecoinvent-3.11-cutoff)
LP steam 350 kPa(a) (to the dryer's hot-water circuit) feed:LPS flowsheet energy stream Q4 (filter-dryer hot-water circuit), D-009 steam, LP, 138.85 degC, 3.5 bar(a) From stream Q4	0.1614	kilowatt hour	assumed	4 4 1 3 3	Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Mother liquor, wash filtrate and dryer condensate to wastewater treatment product:WW flowsheet stream S18 (D-010) From stream S18	9.048	kilogram	calculated	3 4 1 3 3	Atlas (plant): wastewater to treatment, per kg (Atlas unit proxy) (wastewater, by mass, GLO) compatible: grade the input names wastewater only; wastewater (Wastewater treated) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Chilled brine return (263 K) product:BRINE flowsheet energy streams Q1 (caustic dilution and charge cooling), Q2 (hypobromite formation) and Q3 (haloform reaction), D-009 cold, -15 degC From streams Q1, Q2, Q3	0.7902	kilowatt hour	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (chemical 'chilled-water'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Cooling water return (the dryers' vacuum condenser) product:CW flowsheet energy stream Q5 (the filter-dryers' vacuum condenser: the latent heat of the dryer vapour S17), D-009; the reactors' vent condensers carry no modelled vapour and are not counted cold, 25 degC From stream Q5	0.09848	kilowatt hour	assumed	4 4 1 3 3	Atlas (plant): cooling water service, per kWh heat rejected (Atlas screening proxy) (heat rejected to cooling water, GLO) compatible: grade the input names cooling-water only; cooling-water (Heat rejected to cooling water, 25/35 degC) is taken; unit kilowatt hour; carrier cold, 25 degC from cold, 25 degC; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Rinse water of R-101 and F-101 between batches consumable:rinse-water 2 rinses per batch (recipe operations clean of R-101 and F-101) x 0.5 m3 each, ASSUMED (D-003, D-012); 1000 kg per batch x 696.081 batches in 7920 h (process/recipe.yaml, case design, bottleneck HALOFORM)	2.218	kilogram	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (no chemical slug or factor id); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Disposal: Rinse water of R-101 and F-101 between batches (site wastewater treatment of the rinse water, with the saline bromide liquor (D-010)) disposal:consumable.rinse-water rinses to the wastewater treatment with the liquors (D-012)	2.218	kilogram	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (no chemical slug or factor id); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Nitrogen for inerting R-101 and pressing the filtrations in F-101 consumable:nitrogen 30 Nm3 per batch x 1.2504 kg/Nm3, ASSUMED (D-012): R-101's vapour space purged three times and blanketed while the acetone is dosed (about 10 Nm3), F-101 pressed to 300 kPa(a) for each of its two filtrations (about 20 Nm3); 37.5 kg per batch x 696.081 batches in 7920 h (process/recipe.yaml, case design, bottleneck HALOFORM)	0.08316	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Cryogenic air separation unit (500 t/d GOX) (Nitrogen, gaseous, <= 10 ppm O2, 8 barg, GLO) compatible: grade the input names nitrogen only; nitrogen/gan-8barg-10ppm (Nitrogen, gaseous, <= 10 ppm O2, 8 barg) is taken; unit kilogram; system model cutoff (one database); allocation exergy (physical-exergy); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery

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 Carbon tetrabromide crystals to packing, 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/carbon-tetrabromide-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 2.73

TeR 3 · GeR 3 · TiR 1 · P 3.93 · 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:rinse-water (no composition), disposal:consumable.rinse-water (no composition), consumable:nitrogen (no composition)
carbon balance not assessable: no composition for consumable:rinse-water (no composition), disposal:consumable.rinse-water (no composition), consumable:nitrogen (no composition)

Change report

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

KPI benchmark positions

KPI	Value	Reference range	Position
Bromine consumption per kg of carbon tetrabromide No open source with a plant's or a pilot's bromine use per kg CBr4 found (searched 2026-11-05: Google Patents CN 101 885 665 A read, charges only and no yield; Wikipedia, Carbon tetrabromide, which names the CCl4 + AlBr3 exchange and methane bromination without figures; web search for CBr4 production yields, which gave only market-report pages). Only the stoichiometric floor, 1.928 kg/kg, is known.	– kg/kg	not available	not evaluated
Wastewater (mother liquor, wash and condensate) per kg of carbon tetrabromide No open source with the effluent of CBr4 production found (searched 2026-11-05 as for cbr4-specific-bromine); CN 101 885 665 A separates the solid from the liquor but states no liquor amount or washing.	– kg/kg	not available	not evaluated

How to use it

Downloads

cheme-as-code-atlas-preview-a3c52e4.xlsx · bw2io ExcelImporter workbook (bw2io 0.9 Excel layout) · the whole database
code carbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4P
cheme-as-code-atlas-preview-a3c52e4-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
process a7ef0fb4-f65e-5325-b145-dbc42d0345e3 (processes/a7ef0fb4-f65e-5325-b145-dbc42d0345e3.json)
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 carbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4P
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", "carbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4P"))

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

Carbon tetrabromide crystals to packing, from Carbon tetrabromide by semi-batch haloform bromination of acetone in aqueous hypobromite (314 t/a) (dataset carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity carbon-tetrabromide-1:carbon-tetrabromide-by-semi-batch-haloform-bromination-of-acetone-in-aqueous-hypobromite-314-t-a:product:CBR4P. 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)

For the data, cite the Process Atlas paper; for the platform that builds and checks it, the ChemE-as-Code paper.

Schweidtmann, A. M. & Weber, J. M. (2026, in preparation). Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title).

BibTeX

@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}
}

Schweidtmann, A. M. (2026). ChemE-as-Code: An Open-Source Platform for Agentic AI in Chemical Engineering. arXiv:2611.07947. https://doi.org/10.48550/arXiv.2611.07947

BibTeX

@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}
}