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Record W4409638019 · doi:10.1021/acs.jpca.4c08103

Anthracene Photodegradation Kinetics in Salty Aqueous and Organic Solutions

2025· article· en· W4409638019 on OpenAlexafffund
Michael Nicklin, Alexa A. Stathis, Kyle Blaha, Hilda Ehiwario, Tara F. Kahan

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicToxic Organic Pollutants Impact
Canadian institutionsUniversity of Saskatchewan
FundersDivision of Graduate EducationDivision of ChemistryNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsPhotodegradationKineticsAnthraceneAqueous solutionChemistryPhotochemistryEnvironmental chemistryOrganic chemistryCatalysisPhotocatalysisPhysics

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide The reactivity of organic pollutants, such as polycyclic aromatic hydrocarbons (PAHs) in environmental condensed phases depends strongly on matrix composition. Pollutants such as PAHs are often associated with atmospheric aerosols, so an understanding of the effects of changing aerosol composition is required to accurately predict their environmental chemical fate. We have measured the photodegradation kinetics of the PAH anthracene in aqueous solutions containing sodium or potassium chloride (NaCl or KCl) at chloride concentrations greater than those observed in seawater (0.56 M) but relevant to environmental matrices such as atmospheric aerosols, industrial brines, and saline wastewater. At concentrations greater than 0.56 M but below the saturation limit (4.6 M for KCl, 6.1 M for NaCl), the rate constant did not depend on Cl – concentration, but rather remained relatively constant at a value approximately a factor of 2 greater than the rate constant measured in deionized water. We attribute this behavior to competition between a heavy atom effect that suppresses photodegradation by promoting intersystem crossing from anthracene’s excited triplet state to its singlet ground state, and the salting out effect, which we demonstrate increases photodegradation by promoting anthracene self-association. At KCl and NaCl concentrations exceeding the saturation limit, the photodegradation rate constant increased with increasing salt concentration. This is hypothesized to be due to anthracene-NaCl(s) interactions. This is supported by observed monotonic increases in anthracene’s photodegradation rate constant in octanol containing up to 1.5 M solid NaCl. The results suggest that the fate of anthracene, and potentially other aromatic pollutants, in high-salt environments may not be accurately predicted by reaction mechanisms and kinetics from existing literature, which is based almost exclusively on measurements performed in low-salt (seawater concentrations and lower) conditions.

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)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

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 integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.007
GPT teacher head0.237
Teacher spread0.230 · 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 designObservational
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

Citations0
Published2025
Admission routes2
Has abstractyes

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