Methylmagnesium bromide 35 wt% in 2-MeTHF to filling

Activity Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 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 reviewedmethylmagnesium-bromide-1:methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing:product:PRODPreliminaryReport 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 Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing, case design, derived from the flowsheet by cheme assess lca.

Reference product
1 kilogram of Methylmagnesium bromide 35 wt% in 2-MeTHF to filling (1.01325 bar(a), 45 degC, 71.6384 % METHF (mole))
Chemical
methylmagnesium-bromide
CAS
75-16-1
Code
methylmagnesium-bromide-1:methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing:product:PROD
Dataset
methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing version 0.1.0 · UUID b0ec6fe3-a9c6-5f09-a418-e2c92492163a
Activity UUID
not available (the library assigns none; use the code)
Database
cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)
Process
Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 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: magnesium turnings in dry 2-MeTHF under nitrogen, methyl bromide gas dosed at 318 K over 5.75 h (5 % for the initiation, a 30 min hold, the rest; semi-batch, 1.05 mol Mg per mol MeBr), filtration of the excess magnesium; 5000 kg of 35 wt% solution per batch, 880 batches a year on a dedicated train · level current
Boundary
gate-to-gate foreground of the plant
Production volume
4,398,119 kg/a (product:PROD 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 Methylmagnesium bromide 35 wt% in 2-MeTHF to filling

As exported: allocated and scaled to the reference product. Provenance: 7 assumed, 3 calculated. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Preliminary6 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
Magnesium turnings (merchant)
feed:MG
flowsheet stream S1 (D-004)
From stream S1
0.07746kilogramassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (chemical 'magnesium'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Dry 2-MeTHF (merchant)
feed:METHF
flowsheet stream S2 (D-004)
From stream S2
0.6483kilogramassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (chemical '2-methyltetrahydrofuran'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Liquefied methyl bromide (merchant)
feed:MEBR
flowsheet stream S4 (D-004)
From stream S4
0.2882kilogramassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (chemical 'bromomethane'); 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 (F-101), D-009
electricity
From streams P1, P2
0.009544kilowatt 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 350 kPa(a) (hot-water loop of R-101's jacket and the vaporiser E-101)
feed:LPS
flowsheet energy streams Q2 (warm-up of the charge) and Q3 (methyl bromide vaporiser), D-009
steam, LP, 138.85 degC, 3.5 bar(a)
From streams Q2, Q3
0.0277kilowatt hourassumed4 4 1 3 3Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Magnesium cake with its liquor to quench and hazardous-waste treatment
product:CAKE
flowsheet stream S8 (D-007)
From stream S8
0.01022kilogramcalculated3 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
Off-gas (ethane, methyl bromide) to the thermal oxidiser
product:VENT
flowsheet stream S7 (D-004, D-005)
From stream S7
0.003653kilogramcalculated3 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
Chilled brine return (R-101's jacket)
product:BRINE
flowsheet energy stream Q1 (heat of the Grignard reaction), D-009, D-010
cold, -10 degC
From stream Q1
0.2415kilowatt hourcalculated3 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, pressing the slurry to F-101 and blowing the cake
consumable:nitrogen
30 Nm3 per batch (three volume changes of R-101's 6.3 m3 at the start, about 10 Nm3 to press 4.6 m3 of slurry at 3 bar(a), the cake blown dry) x 1.2506 kg/Nm3, ASSUMED (D-012); 37.5 kg per batch x 879.532 batches in 7920 h (process/recipe.yaml, case design, bottleneck REACT)
0.007499kilogramassumed4 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
Iodine activator for the magnesium
consumable:iodine
about 0.1 % of the magnesium charge (387 kg per batch), the usual small activator dose, ASSUMED (D-004); it ends as MgI2 in the product (about 90 mg/kg), not in the balance; 0.4 kg per batch x 879.532 batches in 7920 h (process/recipe.yaml, case design, bottleneck REACT)
7.999e-5kilogramassumed4 4 1 3 3Atlas (pinned): Iodine from natural iodide brine by chlorine oxidation, air blowing-out and SO2 absorption (1000 t/a) (Iodine flakes (99.8 wt% I2) to packing, GLO)
compatible: grade the input names iodine only; iodine (Iodine flakes (99.8 wt% I2) to packing) 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

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 Methylmagnesium bromide 35 wt% in 2-MeTHF to filling, 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/methylmagnesium-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 2.68
TeR 3 · GeR 3 · TiR 1 · P 3.7 · 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), consumable:iodine (no composition)
  • carbon balance not assessable: no composition for consumable:nitrogen (no composition), consumable:iodine (no composition)
Change report
Not available: this build has no change report against an earlier release.

KPI benchmark positions

KPIValueReference rangePosition
Magnesium consumption per kg of methylmagnesium bromide solution (35 wt%)
No open source with a plant's magnesium excess or use per kg of MeMgBr solution found (searched 2026-11-05 as for memgbr-specific-methyl-bromide). Only the stoichiometric floor, 0.071 kg/kg, is known.
– kg/kgnot availablenot evaluated
Methyl bromide consumption per kg of methylmagnesium bromide solution (35 wt%)
No open source with a plant's or a pilot's methyl bromide use per kg of MeMgBr solution found (searched 2026-11-05: the Albemarle TDS 10000303 gives the product, not the process; the Fraunhofer IMM flyer on continuous Grignard formation (2020) names no MeMgBr figures; am Ende et al., OPRD 1999, 3, 319 seen as an abstract only). Only the stoichiometric floor, 0.279 kg/kg, is known.
– kg/kgnot availablenot evaluated

How to use it

Downloads

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", "methylmagnesium-bromide-1:methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing:product:PROD"))

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

Methylmagnesium bromide 35 wt% in 2-MeTHF to filling, from Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 t/a) (dataset methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity methylmagnesium-bromide-1:methylmagnesium-bromide-in-2-methf-by-semi-batch-grignard-reaction-with-methyl-bromide-gas-dosing:product:PROD. 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}
}