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Methyl and Hydrogen Transfer in Free Radical Reactions

2020· article· en· W3004397739 on OpenAlexafffund
Joy H. Tannous, Arno de Klerk

Bibliographic record

VenueEnergy & Fuels · 2020
Typearticle
Languageen
FieldChemistry
TopicPetroleum Processing and Analysis
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaAlberta InnovatesChina National Offshore Oil Corporation
KeywordsIntermolecular forceChemistryHomolysisIntramolecular forceMethyl radicalMethyl groupHydrogenPhotochemistryRadicalMoleculeOrganic chemistryAlkyl

Abstract

fetched live from OpenAlex

It was speculated that hydrogen transfer was not the only type of transfer reaction that could take place during thermal conversion, and that methyl transfer could also take place. There was a large body of literature on intramolecular methyl migration, but little mention of intermolecular methyl transfer as a potentially important reaction type in free radical systems. Methyl transfer during thermal conversion at 400 °C was investigated using indene, 2-methylindene and α-methylstyrene. It was demonstrated that methyl transfer took place. Reaction products that could be explained only in terms of intermolecular methyl transfer were identified, including products that were formed by transfer of two methyl groups. Thermal conversion that considered both intermolecular methyl transfer and hydrogen transfer highlighted potential implications for industrial practice. Products from methyl transfer were more reactive for thermally induced free radical initiation and hydrogen/methyl transfer reactions. Methyl transfer during molecule-induced homolysis provided a plausible pathway for release of methane that does not require a reaction involving hydrogen and methyl radicals. This work not only showed the importance of intermolecular methyl transfer in free radical systems, but also indicated that methyl transfer as opposed to hydrogen transfer affected the composition and bulk properties of the reaction product.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.005
Threshold uncertainty score0.018

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0010.003
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0050.001

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 head0.013
GPT teacher head0.224
Teacher spread0.210 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations17
Published2020
Admission routes2
Has abstractyes

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