Ethylbenzene

Activity Ethylbenzene by liquid-phase zeolite alkylation of benzene with ethylene, RER: the inventory of 1 kilogram of its reference product, attributional, cut-off.

Calculation maturity: not assessed Design maturity: Concept (research)Not independently reviewedethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzenePreliminaryReport 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

Per 1 t of ethylbenzene, gate-to-gate, EU plants of the LVOC BREF data collection. High-purity feeds. Feeds from stoichiometry with the sourced tar; utilities as midpoints of sourced ranges.

Reference product: 1 kilogram of Ethylbenzene
Chemical: ethylbenzene
CAS: 100-41-4
Code: ethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzene
Dataset: ethylbenzene-zeolite-liquid-phase version 0.1.0 · UUID 0b04067f-2d7e-5418-a945-9b665d6e8ee0
Activity UUID: not available (the library assigns none; use the code)
Database: cheme-as-code-atlas-preview-c3ab348 (version preview-c3ab348)
Process: Ethylbenzene by liquid-phase zeolite alkylation of benzene with ethylene
Geography: RER · background inputs with a site rule link at the user's site location (default DE)
Time period: 2007 · valid until 2017
Technology: liquid-phase alkylation and transalkylation on fixed-bed zeolite, with distillation; the AlCl3 route is not modelled · level current
Boundary: gate-to-gate: feed pretreatment, alkylation, transalkylation, fractionation; steam and power from outside
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

Exchanges per 1 kilogram of Ethylbenzene

As exported: allocated and scaled to the reference product. Provenance: 2 calculated, 2 assumed, 8 given. 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.

Input	Amount	Unit	Provenance	Pedigree	Linked to
Benzene feed:benzene stoichiometry C6H6 + C2H4 -> C8H10 plus the model tar and fugitive losses; compare 0.735 to 0.746 t/t (LVOC BREF 5.3.4.1, benchmarks/styrenics.yaml)	0.7395	kilogram	calculated	4 4 4 4 4	unlinked unlinked, no technosphere mapping: no mapping (chemical 'benzene'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Ethylene feed:ethylene stoichiometry C6H6 + C2H4 -> C8H10 plus the model tar and fugitive losses; compare 0.254 to 0.265 t/t (LVOC BREF 5.3.4.1, benchmarks/styrenics.yaml)	0.2649	kilogram	calculated	4 4 4 4 4	unlinked unlinked, no technosphere mapping: no mapping (chemical 'ethylene'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Water to the process feed:water ASSUMED equal to the net effluent, so that the water balance closes	0.117	kilogram	assumed	4 4 4 4 4	market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Electricity feed:electricity EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.5, p. 282 electricity	0.0285	kilowatt hour	given	3 4 4 3 3	market for electricity, medium voltage (electricity, medium voltage, DE, site location) in your background (default ecoinvent-3.11-cutoff)
Steam, as heat delivered feed:steam EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.5, p. 282; gross, heat recovery not credited	1.35	kilowatt hour	given	4 5 4 3 4	Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Zeolite catalyst input:catalyst EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.4.2, p. 281 (spent per t, taken as the make-up); mass outside the element balance	7.5e-6	kilogram	given	3 4 4 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
Spent zeolite catalyst output:spent-catalyst EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.6.1.1, p. 284; mass outside the element balance	7.5e-6	kilogram	given	3 4 4 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
Heavy residue (flux oil or fuel) output:tar EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.6.1.2, p. 284; modelled as 1,1-diphenylethane (ASSUMED; the source says mono- or polycyclic hydrocarbons of 10 carbons or more)	0.0043	kilogram	given	4 4 4 4 4	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
Hydrogen of the model tar reaction, to the shared off-gas treatment output:offgas ASSUMED model reaction 2 C6H6 + C2H4 -> C14H14 + H2; closes the balance	4.756e-5	kilogram	assumed	4 4 4 4 4	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
Effluent to wastewater treatment output:wastewater EU JRC (2017) LVOC BREF, EUR 28882 EN, doi:10.2760/77304, 5.3.3.1, p. 276	0.117	kilogram	given	3 4 4 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)

Elementary flows

Flow	Direction	Compartment	Amount	Unit	Provenance	Pedigree
Benzene 28999907-a8a7-45b3-857e-836495ca2aa0	emission	air	1e-5	kilogram	given	4 4 4 4 4
NMVOC, non-methane volatile organic compounds d3260d0e-8203-4cbb-a45a-6a13131a5108	emission	air	4e-5	kilogram	given	4 4 4 4 4

Where these numbers come from: each exchange names its source above; the dataset is processes/ethylbenzene-1/lca/datasets/ethylbenzene-zeolite-liquid-phase.yaml in library version c3ab348.

Used by

Benzene, by-product styrene-1:styrene-eb-dehydrogenation:product:benzene
Styrene monomer, 99.8 % styrene-1:styrene-eb-dehydrogenation:product:styrene
Toluene, by-product styrene-1:styrene-eb-dehydrogenation:product:toluene

How good it is

Review: Not reviewed: no LCI review record yet
Data quality: not available
Mass and carbon closure: Not available: a hand-written dataset: no lca/manifest.json records its balance
Change report: Not available: this build has no change report against an earlier release.

KPI benchmark positions

KPI	Value	Reference range	Position
Benzene consumption per t of ethylbenzene	– t/t	0.735 to 0.746 t/t Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304 (bref)	not evaluated
Ethylene consumption per t of ethylbenzene	– t/t	0.254 to 0.265 t/t Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304 (bref)	not evaluated
Electricity and steam per t of ethylbenzene	– kWh/t	760 to 2,600 kWh/t Falcke, H. et al. (2017) Best Available Techniques (BAT) Reference Document for the Production of Large Volume Organic Chemicals. JRC Science for Policy Report EUR 28882 EN, doi:10.2760/77304 (bref)	not evaluated

How to use it

Downloads

cheme-as-code-atlas-preview-c3ab348.xlsx · bw2io ExcelImporter workbook (bw2io 0.9 Excel layout) · the whole database
code ethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzene
cheme-as-code-atlas-preview-c3ab348-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
process 0b04067f-2d7e-5418-a945-9b665d6e8ee0 (processes/0b04067f-2d7e-5418-a945-9b665d6e8ee0.json)
cheme-as-code-atlas-preview-c3ab348-multifunctional.json · Brightway 2.5 multifunctional database (JSON, for the multifunctional package) (cheme-as-code/lci-multifunctional/v1) · the whole database
code ethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzene
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-c3ab348.xlsx", background="ecoinvent-3.11-cutoff", location="DE")
activity = bd.get_activity(("cheme-as-code-atlas-preview-c3ab348", "ethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzene"))

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

Ethylbenzene, from Ethylbenzene by liquid-phase zeolite alkylation of benzene with ethylene (dataset ethylbenzene-zeolite-liquid-phase 0.1.0), ChemE-as-Code Process Atlas LCI database preview-c3ab348, activity ethylbenzene-1:ethylbenzene-zeolite-liquid-phase:product:ethylbenzene. 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-c3ab348.

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, in preparation). ChemE-as-Code: An Open-Source Platform for AI-Accelerated Chemical Process Engineering (working title).

BibTeX

@unpublished{schweidtmann_cheme_as_code,
  author = {Schweidtmann, Artur M.},
  title = {{ChemE-as-Code: An Open-Source Platform for AI-Accelerated Chemical Process Engineering (working title)}},
  year = {2026},
  url = {https://cheme-as-code.org},
  note = {in preparation}
}