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Record W4388552292 · doi:10.1002/cjce.25136

<i>tert</i> ‐butanol and hydrogen peroxide react over Amberlyst‐15 to form <i>tert</i> ‐butyl hydroperoxide

2023· article· en· W4388552292 on OpenAlexafffundvenue
Marie‐Thérèse El Kfoury, Olga V. Chub, Daria C. Boffito, Gregory S. Patience

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2023
Typearticle
Languageen
FieldChemistry
TopicOxidative Organic Chemistry Reactions
Canadian institutionsPolytechnique Montréal
FundersArkemaMitacs
KeywordsChemistryCatalysisHydrogen peroxideYield (engineering)AcetoneReactivity (psychology)Organic chemistryAlcoholReaction rate constantButanolKineticsEthanol

Abstract

fetched live from OpenAlex

Abstract Organic peroxides are explosive compounds that are applied as disinfectants, bleaching agents, and as initiators for polymer synthesis because of their high reactivity. Traditional homogeneous processes with H 2 SO 4 catalyst produce salts, either in the neturalization step after reaction or due to the foramtion of tert ‐butyl hydrogen sulphate, that must be disposed of, which introduces cost and represents an environmental burden. Here, we devised a flow chemistry approach to oxidize tert ‐butyl alcohol (TBA) to tert ‐butyl hydroperoxide (TBHP) over various heterogeneous catalysts. Under acidic conditions, TBHP is the main product and di‐ tert ‐butyl peroxide (DTBP) and peroxy‐ketal are by‐products. The most active catalyst was Amberlyst‐15, while yield of Nafion, activated carbon, and heteropoly acids (HPA) on carbon and silica matrices was less than 1% at 70°C. In in the range of 30 to 50°C, a first order kinetic expression characterizes the tert ‐butyl alcohol conversion well (). The reaction rate is slow and the rate constant, , was 0.003 min −1 . Above 50°C, by‐products reacted further to acetone, methane, ethane, and other compounds.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.019
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.008
GPT teacher head0.199
Teacher spread0.191 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations4
Published2023
Admission routes3
Has abstractyes

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