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Record W1967419714 · doi:10.1021/jp030230a

Low-Temperature Kinetics of Reactions of OH Radical with Ethene, Propene, and 1-Butene

2003· article· en· W1967419714 on OpenAlexaboutno aff
Andrei B. Vakhtin, James E. Murphy, Stephen R. Leone

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2003
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicAtmospheric Ozone and Climate
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryPropeneReaction rate constantAtmospheric temperature rangeRadicalKineticsExtrapolationAnalytical Chemistry (journal)Kinetic energyPhysical chemistryPhotochemistryThermodynamicsOrganic chemistry

Abstract

fetched live from OpenAlex

The kinetics of the reactions of the OH radical with ethene ( k 1 ), propene ( k 2 ), and 1-butene ( k 3 ) are studied over a temperature range of T = 96−296 K. The low-temperature environment is provided by a pulsed Laval nozzle supersonic expansion of nitrogen with admixed radical precursor and reactant gases. The OH radicals are produced by pulsed photolysis of H 2 O 2 at 248 nm. Laser-induced fluorescence of the OH radicals excited in the (1,0) band of the A 2 Σ + −X 2 Π i transition is used to monitor the OH decay kinetics to obtain the bimolecular rate coefficients. At T = 296 K, the rate constants k 1, k 2, and k 3 are also measured as a function of total pressure. The room-temperature falloff parameters are used as the basis for extrapolation of the low-temperature kinetic data, obtained over a limited range of gas number density, to predict the high-pressure limits of all three rate coefficients at low temperatures. The temperature dependence of the measured high-pressure rate constants for T = 96−296 K can be expressed as follows: k 1, ∞ = (8.7 ± 0.7) × 10 -12 ( T /300) (-0.85±0.11) cm 3 molecule -1 s -1; k 2, ∞ = (2.95 ± 0.10) × 10 -11 ( T /300) (-1.06±0.13) cm 3 molecule -1 s -1; k 3, ∞ = (3.02 ± 0.15) × 10 -11 ( T /300) (-1.44±0.10) cm 3 molecule -1 s -1 . All three high-pressure rate constants show a slight negative temperature dependence, which is generally in agreement with both low-temperature and high-temperature kinetic data available in the literature. Implications to the atmospheric chemistry of Saturn are discussed. Incorporating the new experimental data on k 1 in photochemical models of Saturn's atmosphere may significantly increase the predicted rate of photochemical conversion of H 2 O into C−O containing molecules.

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)0.000
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 score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

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 communication0.0000.001
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.006
GPT teacher head0.197
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 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

Citations82
Published2003
Admission routes1
Has abstractyes

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