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Record W3112732846 · doi:10.1139/cjc-2019-0485

Photochemical reaction kinetics and mechanism of bisphenol A with K<sub>2</sub>S<sub>2</sub>O<sub>8</sub> in aqueous solution: a laser flash photolysis study

2020· article· en· W3112732846 on OpenAlexvenueno aff
Yongchao Zhu, Mengyu Zhu, Jingjing Xie, Yadong Hu, Ying Liu, Chengzhu Zhu

Bibliographic record

VenueCanadian Journal of Chemistry · 2020
Typearticle
Languageen
FieldEnvironmental Science
TopicAdvanced oxidation water treatment
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryReaction rate constantFlash photolysisPhotodissociationPhotochemistryAdductKineticsReaction mechanismHydroxyl radicalRadicalOrganic chemistry

Abstract

fetched live from OpenAlex

The photochemical reaction kinetics and mechanism of bisphenol A (BPA) with potassium persulfate (K 2 S 2 O 8 ) were investigated by using 266 nm laser flash photolysis and gas chromatography mass spectrum (GC-MS) technique. Sulfate radical (SO 4 •− ), generated upon K 2 S 2 O 8 photolysis, reacted with BPA with the overall rate constant of (1.61 ± 0.15) × 10 9 L mol −1 s −1 , and two main reaction mechanisms were involved. One was addition channel to generate BPA–SO 4 •− adduct with a specific second-order rate constant of (1.09 ± 0.15) × 10 9 L mol −1 s −1 . Molecular oxygen was involved in the decay of the BPA–SO 4 •− adduct with a rate constant of (1.28 ± 0.14) × 10 8 L mol −1 s −1 . Another channel was the formation of BPA’s phenoxyl radical, likely derived from a deprotonation of the cation radical (BPA •+ ) generated from single electron transfer reactions. The specific rate constant of BPA’s phenoxyl radical formation was determined to be (6.16 ± 0.08) × 10 8 L mol −1 s −1 . The overall rate constant was in line with the sum of aforementioned two specific rate constants for two main reaction channels. By comparing these rate constants, it was indicated that SO 4 •− addition channel accounted for ∼65% (1.09/1.61) to the overall reaction, and phenoxyl radical formation accounted for only ∼35% (0.62/1.61). The transformation products of BPA were identified by using GC-MS including 4-isopropylphenol, 4-isopropenylphenol, and 2,4-di-tert-butylphenol, and the reaction mechanism was proposed. These results may provide microscopic kinetics and mechanism information on BPA degradation using SO 4 •− -based advanced oxidation processes.

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 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 score0.004
Threshold uncertainty score1.000

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 head0.007
GPT teacher head0.184
Teacher spread0.177 · 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
Published2020
Admission routes1
Has abstractyes

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