Hydrogen bromide, Hydrobromic acid 48 wt% (co-product)

Activity Benzyl bromide by light-driven semi-batch bromination of toluene, HBr absorption and batch distillation (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 reviewedbenzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a:product:HBRACIDPreliminaryReport 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 Benzyl bromide by semi-batch light-driven side-chain bromination of toluene with HBr absorption and batch distillation (1000 t/a), case design, derived from the flowsheet by cheme assess lca.

Reference product
1 kilogram of Hydrogen bromide, Hydrobromic acid 48 wt% (co-product) (1.01325 bar(a), 40 degC, 82.8164 % H2O (mole))
Chemical
hydrogen-bromide
CAS
10035-10-6
Code
benzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a:product:HBRACID
Dataset
benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a version 0.1.0 · UUID 95d024ae-2c72-577b-a680-5dc750f8d759
Activity UUID
not available (the library assigns none; use the code)
Database
cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)
Process
Benzyl bromide by light-driven semi-batch bromination of toluene, HBr absorption and batch distillation (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: bromine dosed over 5 h into 4 mol of toluene per mol at 363 K under lamps (semi-batch), the HBr vented as it forms through a reflux and a brine vent condenser and absorbed to 48 wt% acid; the crude stripped of toluene at 15 kPa(a) and distilled at 2 kPa(a) in one batch still with a packed column of 5 theoretical stages (forerun at reflux 2 recycled with the toluene, 2 % purged; main cut at reflux 0.5); 887.3 kg per batch, 1127 batches a year on a dedicated train · level current
Boundary
gate-to-gate foreground of the plant
Production volume
1,000,003 kg/a (product:BNBR 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, 34.3 % of the dataset to this product (rule deviation, from study)
No physical relationship is clear (the acid carries no energy content; no exergy, since no property package covers HBr-water), so the WBCSD rule of docs/system-model.md applies. No price of either product is sourced (docs/registry.md, "Missing prices"), so the rule's fallback is mass. Shares 1/0 (all to the benzyl bromide, as benzoyl-chloride-1 gives its hydrochloric acid) were rejected: half the bromine leaves in the acid, which is a saleable bromine product. Substitution of hydrogen-bromide-1's acid (system expansion) belongs to the substitution variant database, not to this cut-off dataset (library ADR 0007).
Rights
CC-BY-4.0: the ChemE-as-Code process library's own concept design (LICENSE-DATA)

Exchanges per 1 kilogram of Hydrogen bromide, Hydrobromic acid 48 wt% (co-product)

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.

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.
InputAmountUnitProvenancePedigreeLinked to
Toluene make-up (btx-1)
feed:TOL
flowsheet stream S1, the make-up (D-004)
From stream S1
0.1923kilogramassumed4 4 1 3 3Atlas (pinned): Benzene, toluene and mixed xylenes by solvent extraction of catalytic reformate (Toluene, RER)
compatible: grade the input names toluene only; toluene (Toluene) 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
Bromine (bromine-1)
feed:BR2
flowsheet stream S5 (D-004)
From stream S5
0.324kilogramassumed4 4 1 3 3Atlas (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
Process water (HBr absorber)
feed:PW
flowsheet stream S10 (D-008)
From stream S10
0.1771kilogramassumed4 4 1 3 3market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Electric power
feed:POWER
flowsheet energy streams P1 (the lamps), P2 (R-101 agitator) and P3 (still agitator and vacuum pump), D-005, D-009
electricity
From streams P1, P2, P3
0.05001kilowatt hourassumed4 4 1 3 3market for electricity, medium voltage (electricity, medium voltage, DE, site location) in your background (default ecoinvent-3.11-cutoff)
LP steam 450 kPa(a) (R-101 heat-up, still C-101)
feed:LPS
flowsheet energy streams Q1 (R-101 heat-up), Q7 (strip), Q9 (forerun) and Q14 (main cut), Q7, Q9 and Q14 the boil-up's latent heat from core's still and column models, the column's with its reflux (the charges' sensible heat, 2.84 kW less steam, left out: D-009), D-009
steam, LP, 147.85 degC, 4.5 bar(a)
From streams Q1, Q7, Q9, Q14
0.1351kilowatt hourassumed4 4 1 3 3Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Still residue (benzal bromide) to hazardous-waste incineration
product:RES
flowsheet stream S16 (D-007)
From stream S16
0.02471kilogramcalculated3 4 1 3 3unlinked
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
Toluene purge to hazardous-waste incineration
product:PURGE
flowsheet stream S18 (D-007)
From stream S18
0.01247kilogramcalculated3 4 1 3 3unlinked
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
product:CW
flowsheet energy streams Q2 (R-101 jacket: the light and the agitator less the heat R101's model takes in), Q3 (lamp wells), Q4 (reflux condenser E-102, R101's vent condenser duty from core's model: the off-gas vapour condensed and cooled, the HBr cooled), Q6 (absorber), Q8 (strip condenser), Q11 (the column's condenser during the main cut, core's) and Q15 (product cooler and residue cool-down), D-009
cold, 25 degC
From streams Q2, Q3, Q4, Q6, Q8, Q11, Q15
0.2088kilowatt hourassumed4 4 1 3 3Atlas (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)
Chilled brine return (263 K)
product:BRINE
flowsheet energy streams Q5 (vent condenser E-103), Q10 (the column's condenser during the forerun, core's) and Q16 (forerun cooler), D-009
cold, -15 degC
From streams Q5, Q10, Q16
0.01453kilowatt hourassumed4 4 1 3 3unlinked
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
Nitrogen for inerting R-101 and C-101, breaking the vacuum and padding the receivers
consumable:nitrogen
20 Nm3 per batch x 1.2506 kg/Nm3, ASSUMED (D-012): R-101's 4 m3 purged with 3 volumes (12 Nm3), C-101's 4 m3 vacuum broken once (4 Nm3), the receivers and T-201 padded and the crude transfer pressed (4 Nm3); 25 kg per batch x 1127.12 batches in 7920 h (process/recipe.yaml, case design, bottleneck REACT)
0.00883kilogramassumed4 4 1 3 3Atlas (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 Hydrogen bromide, Hydrobromic acid 48 wt% (co-product), 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/benzyl-bromide-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

KPIValueReference rangePosition
Bromine consumption per kg of benzyl bromide
No open source with a plant's or a pilot's bromine use per kg of benzyl bromide found (searched 2026-11-06: Google Patents US 3 528 899 A read, a laboratory example with X-ray initiation at 1.2 mol of bromine per mol of toluene, about 90 % on toluene, no yield on bromine; PubChem CID 7498 (HSDB) names the route without figures; NIST WebBook has no plant data). Only the stoichiometric floor, 0.934 kg/kg, is known.
– kg/kgnot availablenot evaluated
Toluene consumption per kg of benzyl bromide
No open source with a plant's toluene use per kg of benzyl bromide found (searched 2026-11-06 as for bnbr-specific-bromine). US 3 528 899 A, Example I implies about 0.60 kg/kg (about 90 % of theory on toluene), one laboratory value under other initiation and excess bromine, not a range; the stoichiometric floor is 0.539 kg/kg.
– kg/kgnot availablenot 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 benzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a:product:HBRACID
  • cheme-as-code-atlas-preview-a3c52e4-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
    process 95d024ae-2c72-577b-a680-5dc750f8d759 (processes/95d024ae-2c72-577b-a680-5dc750f8d759.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 benzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-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", "benzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a:product:HBRACID"))

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

Hydrogen bromide, Hydrobromic acid 48 wt% (co-product), from Benzyl bromide by light-driven semi-batch bromination of toluene, HBr absorption and batch distillation (1000 t/a) (dataset benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity benzyl-bromide-1:benzyl-bromide-by-semi-batch-light-driven-side-chain-bromination-of-toluene-with-hbr-absorption-and-batch-distillation-1000-t-a:product:HBRACID. 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}
}