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.
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.
| Input | Amount | Unit | Provenance | Pedigree | Linked to |
|---|---|---|---|---|---|
| Toluene make-up (btx-1) feed:TOL flowsheet stream S1, the make-up (D-004) From stream S1 | 0.1923 | kilogram | assumed | 4 4 1 3 3 | Atlas (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 | 0.324 | 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 |
| Process water (HBr absorber) feed:PW flowsheet stream S10 (D-008) From stream S10 | 0.1771 | 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 (the lamps), P2 (R-101 agitator) and P3 (still agitator and vacuum pump), D-005, D-009 electricity From streams P1, P2, P3 | 0.05001 | 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 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 | 0.1351 | 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 (benzal bromide) to hazardous-waste incineration product:RES flowsheet stream S16 (D-007) From stream S16 | 0.02471 | kilogram | calculated | 3 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 |
| Toluene purge to hazardous-waste incineration product:PURGE flowsheet stream S18 (D-007) From stream S18 | 0.01247 | kilogram | calculated | 3 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 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 | 0.2088 | 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) |
| 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 | 0.01453 | 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 |
| 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) | 0.00883 | 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 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 2.7TeR 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
| KPI | Value | Reference range | Position |
|---|---|---|---|
| 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/kg | not available | not 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/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 databasecode 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 databaseprocess 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 databasecode 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}
}