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Record W2936646330 · doi:10.1002/kin.21278

Temperature dependence of the reactions of Cl with toluene and the xylenes

2019· article· en· W2936646330 on OpenAlexafffund
W. J. FRAZEE, John M. Roscoe

Bibliographic record

VenueInternational Journal of Chemical Kinetics · 2019
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicAtmospheric chemistry and aerosols
Canadian institutionsAcadia University
FundersNatural Sciences and Engineering Research Council of CanadaAcadia University
KeywordsIsobutaneChemistryPropaneTolueneAnalytical Chemistry (journal)ButaneReaction rate constantReaction ratePhysical chemistryOrganic chemistryKineticsCatalysis

Abstract

fetched live from OpenAlex

Abstract The temperature dependence of the rate coefficients for the reactions of Cl with toluene and the xylenes was examined from 290 to 362 K. Chemical analysis was by gas chromatography. The relative rate method was used for the kinetic analysis, and the relative rate coefficients were converted to absolute values using absolute rate coefficients for the reference reactions obtained from recent critical evaluations. Most of the measurements were made at a total pressure of approximately 100 kPa in argon. There was very little temperature dependence, and variation of the total pressure and the concentration of O 2 had no effect. The values of the absolute rate coefficients were independent of the reference reaction used. The reaction of Cl with toluene was studied relative to the reactions of Cl with isobutane, ethane, propane, and n ‐butane. The results were virtually independent of temperature, giving a mean value of (5 ± 1) × 10 −11 cm 3 molecule –1 s −1 for the absolute rate coefficient at 95% confidence. The reactions of Cl with the xylenes were studied relative to the reactions of Cl with isobutane, ethane, and propane. The rate coefficients were independent of the xylene isomer and had a very small negative dependence on temperature. The mean value of the absolute rate coefficient at 298 K was (1.4 ± 0.3) × 10 −10 cm 3 molecule −1 s –1 at the 95% confidence level. The results are in satisfactory agreement with those in the literature, all of which were measured at fixed temperatures very close to 298 K. The kinetic results are discussed in relation to published descriptions of the dynamics of reactions of Cl and OH with organic 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)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.110
Threshold uncertainty score0.209

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
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 science0.0000.000
Research integrity0.0000.000
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 head0.004
GPT teacher head0.197
Teacher spread0.192 · 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.

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

Citations5
Published2019
Admission routes2
Has abstractyes

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