Distilled phosphorus tribromide to storage

Activity Phosphorus tribromide by semi-batch bromination of white phosphorus in a PBr3 heel (1000 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 reviewedphosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3PreliminaryReport 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 Phosphorus tribromide by semi-batch bromination of white phosphorus in a PBr3 heel (1000 t/a), case design, derived from the flowsheet by cheme assess lca.

Reference product: 1 kilogram of Distilled phosphorus tribromide to storage (1.01325 bar(a), 35 degC, 99.9996 % PBR3 (mass))
Chemical: phosphorus-tribromide
CAS: 7789-60-8
Code: phosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3
Dataset: phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a version 0.1.0 · UUID 3678e582-1461-5278-a284-5b1f2d153933
Activity UUID: not available (the library assigns none; use the code)
Database: cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)
Process: Phosphorus tribromide by semi-batch bromination of white phosphorus in a PBr3 heel (1000 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: molten white phosphorus and bromine dosed together over 10 h into a PBr3 heel at 398 K (semi-batch, 0.4 % bromine excess), the heel kept for the next batch, the crude treated with red phosphorus and distilled at 4 kPa(a); 1421 kg per batch, 704 batches a year on a dedicated train · level current
Boundary: gate-to-gate foreground of the plant
Production volume: 1,000,000 kg/a (product:PBR3 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 Distilled phosphorus tribromide to storage

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

Preliminary3 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
Molten white phosphorus (merchant) feed:P4 flowsheet stream S1 (D-004) From stream S1	0.1205	kilogram	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (chemical 'phosphorus'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Liquid bromine (bromine-1) feed:BR2 flowsheet stream S2 (D-004) From stream S2	0.9362	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
Red phosphorus (merchant) feed:REDP flowsheet stream S6 (D-007) From stream S6	0.001205	kilogram	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (chemical 'phosphorus'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Electric power feed:POWER flowsheet energy streams P1 (R-101 agitator) and P2 (still agitator and vacuum pump), D-009 electricity From streams P1, P2	0.0396	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) (still reboiler) feed:LPS flowsheet energy stream Q2 (still reboiler), D-009 steam, LP, 138.85 degC, 3.5 bar(a) From stream Q2	0.06259	kilowatt hour	assumed	4 4 1 3 3	Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Still residue to hazardous-waste incineration product:RES flowsheet stream S9 (D-008) From stream S9	0.05784	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
Cooling water return (via R-101's tempered-water loop and the still condenser) product:CW flowsheet energy streams Q1 (R-101) and Q3 (still condenser and product cooler), D-009, D-010 cold, 25 degC From streams Q1, Q3	0.2604	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)
Nitrogen for inerting R-101 and C-101 and breaking the still's vacuum consumable:nitrogen 6 Nm3 per batch (purges of R-101's and the still's vapour spaces, the vacuum broken once) x 1.2506 kg/Nm3, ASSUMED (D-012); 7.5 kg per batch x 703.615 batches in 7920 h (process/recipe.yaml, case design, bottleneck BROMINATE)	0.005277	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 Distilled phosphorus tribromide 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/phosphorus-tribromide-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 2.75

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: 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

KPI	Value	Reference range	Position
Bromine consumption per kg of phosphorus tribromide No open source with a plant's or a pilot's bromine use per kg PBr3 found independent of the dataset (searched 2026-11-05: Google Patents DE 1 281 414 B / US 3 409 401 A read, the dataset's own basis; web search for PBr3 production consumption and yields, which gave only laboratory preparations and encyclopaedia summaries without plant figures). Only the stoichiometric floor, 0.886 kg/kg, is known.	– kg/kg	not available	not evaluated
Still residue to incineration per kg of phosphorus tribromide No open source with the residue of PBr3 distillation found (searched 2026-11-05 as for pbr3-specific-bromine); US 3 409 401 names the red-phosphorus addition before the vacuum distillation but no residue amount.	– 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 phosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3
cheme-as-code-atlas-preview-a3c52e4-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
process 3678e582-1461-5278-a284-5b1f2d153933 (processes/3678e582-1461-5278-a284-5b1f2d153933.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 phosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3
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", "phosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3"))

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

Distilled phosphorus tribromide to storage, from Phosphorus tribromide by semi-batch bromination of white phosphorus in a PBr3 heel (1000 t/a) (dataset phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity phosphorus-tribromide-1:phosphorus-tribromide-by-semi-batch-bromination-of-white-phosphorus-in-a-pbr3-heel-1000-t-a:product:PBR3. 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}
}