{ "authors": [], "basis": { "capacity": "per tonne of tert-butanol (the dataset's basis); no plant size" }, "benchmarks": [ { "dataset": "tert-butanol-isobutene-hydration", "expression": "product:tert-butanol * 56.108 / 74.123 / feed:isobutene", "family": "oxygenates", "kpi": "tba-isobutene-selectivity", "problem": "1 to % needs core's foundation.units (pip install 'cheme-as-code[units]')", "reference": { "basis": "unallocated", "conditions": { "product": "tert-butanol", "technology": "fixed bed of sulfonic-acid cation-exchange resin (Duolite ES-26), 70 degC, 16 kg/cm2, homogeneous TBA/water/C4 feed", "year": 1981 }, "id": "us4307257-tba-selectivity", "note": "The lowest and highest of the four examples according to the invention (Examples 1 to 4); the comparative examples are left out. The patent does not say whether the selectivity is molar; molar is our reading. A single-reactor test with a C4 raffinate feed.", "range": [ 97.3, 99.8 ], "source": { "accessed": "2026-11-05", "citation": "US 4,307,257 A (1981) Process for production of tertiary butyl alcohol. Sumitomo Chemical Co Ltd (Sada, M., Kato, M., Mori, Y., Sano, M.)", "kind": "other", "locator": "Examples 1 to 4, Table 2", "url": "https://patents.google.com/patent/US4307257A/en" } }, "status": "unchecked", "title": "Selectivity of the isobutene converted to tert-butanol (molar)", "unit": "%", "value": null }, { "dataset": "tert-butanol-isobutene-hydration", "expression": "feed:electricity / product:tert-butanol", "family": "oxygenates", "kpi": "tba-specific-electricity", "no_open_reference": "No usable open source with a tert-butanol electricity figure found (2026-11-05). Read: LVOC BREF 2017 section 2.1.2.1.8 (routes only, \"endothermic process\", no figure); patents US 7,179,948 B2, US 7,002,050 B2, US 7,115,787 B2, US 7,709,690 B2, US 4,180,688 A and US 4,307,257 A (no utility figures). Web searches for open simulation studies with reboiler duties found only abstracts and theses that could not be read. One abstract was read and not used: a student preliminary design (Universitas Muhammadiyah Surakarta, eprints.ums.ac.id/47175, 80 kt/a, bubble reactor) states 321.62 kW of electricity, about 32 kWh/t at 330 d/a; its isobutylene use is below stoichiometry and the route differs, so it is not a reference. The dataset's value is core's Tier 0 default, ASSUMED.", "problem": "kWh/kg to kWh/t needs core's foundation.units (pip install 'cheme-as-code[units]')", "reference": null, "status": "unchecked", "title": "Electricity per t of tert-butanol", "unit": "kWh/t", "value": null }, { "dataset": "tert-butanol-isobutene-hydration", "expression": "feed:heat / product:tert-butanol", "family": "oxygenates", "kpi": "tba-specific-heat", "no_open_reference": "No usable open source with a tert-butanol heat or steam figure found (2026-11-05); the same sources as for electricity were read. The student design named under electricity states 9388 kg/h of steam, about 0.93 t per t TBA at 330 d/a; it is not used, for the reasons given there. The dataset's value is core's Tier 0 default heat from fossil fuel, ASSUMED.", "problem": "kWh/kg to kWh/t needs core's foundation.units (pip install 'cheme-as-code[units]')", "reference": null, "status": "unchecked", "title": "Heat per t of tert-butanol", "unit": "kWh/t", "value": null } ], "chemistry": { "inputs": [ { "chemical": "isobutene", "grade": null, "inventory_key": "feed:isobutene", "note": "isobutene consumed; a raffinate feed's C4 inerts pass through and are not counted", "role": "feedstock" }, { "chemical": "water", "grade": null, "inventory_key": "feed:water", "note": "water of reaction only", "role": "feedstock" } ], "outputs": [ { "chemical": "tert-butanol", "grade": null, "inventory_key": "product:tert-butanol", "role": "main-product" } ], "utilities": [ { "chemical": "electricity", "grade": null, "inventory_key": "feed:electricity", "note": "core's Tier 0 default (ASSUMED, dated); the dataset's feed:heat (core's default heat from fossil fuel, kWh) has no registry slug and is mapped in lca/mappings.yaml", "role": "utility" } ] }, "description": "", "design_basis": null, "engineering": null, "facets": { "feedstock_basis": [ "fossil" ], "product_classes": [ "chemicals" ], "region": "generic", "unit_operations": [ "reaction", "distillation" ] }, "families": [ "oxygenates" ], "gap_count": 0, "gates": null, "id": "tert-butanol-1", "issues": { "closed_count": 0, "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Atert-butanol-1%22", "new": { "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1", "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1", "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1", "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1", "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1", "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Atert-butanol-1&process=tert-butanol-1" }, "open": [], "open_by_gate": {}, "open_count": 0, "private": false, "repository": "ChemE-as-Code/process-library" }, "keywords": [ "tert-butanol", "tert-butyl alcohol", "TBA", "isobutene", "isobutylene", "hydration", "ion-exchange resin", "raffinate" ], "lca": null, "lci_gaps": [], "maintainers": [], "maturity": "concept", "preliminary": false, "provenance": { "library_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174", "previews": null, "previews_stale": false, "source_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174" }, "publication": { "license": "CC-BY-4.0", "status": "public" }, "references": [ { "doi": "10.2760/77304", "title": "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 (JRC109279), section 2.1.2.1.8 (routes only, no figures)" }, { "title": "US 7,179,948 B2 (2007) Process for preparing tert-butanol (Oxeno Olefinchemie): continuous fixed-bed reactors in series over acidic ion-exchange resin, route and operating ranges", "url": "https://patents.google.com/patent/US7179948B2/en" }, { "title": "US 4,180,688 A (1979) Method for continuously producing tert-butyl alcohol (Nippon Oil): Example 4 (two plant-scale reactors in series), isobutylene dimer by-product rate", "url": "https://patents.google.com/patent/US4180688A/en" }, { "title": "US 4,307,257 A (1981) Process for production of tertiary butyl alcohol (Sumitomo Chemical): Table 2, selectivity of isobutylene to TBA (benchmark only)", "url": "https://patents.google.com/patent/US4307257A/en" } ], "repository": { "access": "public", "path": "processes/tert-butanol-1", "url": "https://github.com/ChemE-as-Code/process-library" }, "representations": [], "summary": "Tier 0 screening per tonne of tert-butanol: stoichiometry with a patent's by-product rate, electricity and heat from core's defaults (no open energy figure found). No flowsheet; not reviewed.", "title": "tert-Butanol by direct hydration of isobutene over an acidic ion-exchange resin", "validation": { "status": "unreviewed" }, "viewer": null }