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Record W4414560277 · doi:10.1016/j.jcoa.2025.100264

Simultaneous analysis of sulfolane and BTEX in rock samples by gas chromatography–mass spectrometry

2025· article· en· W4414560277 on OpenAlexafffundabout
Merrik Kobarfard, Beth L. Parker, Tadeusz Górecki

Bibliographic record

VenueJournal of Chromatography Open · 2025
Typearticle
Languageen
FieldChemistry
TopicAnalytical chemistry methods development
Canadian institutionsUniversity of GuelphUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of CanadaShell United StatesShell CanadaShell
KeywordsSulfolaneBTEXExtraction (chemistry)ContaminationSample preparationMass spectrometry

Abstract

fetched live from OpenAlex

• Sulfolane is a stable, mobile industrial solvent with environmental concerns. • BTEX are frequently present at sites contaminated with sulfolane. • A GC-MS method with microwave-assisted extraction was optimized for rapid analysis. • Method reproducibility, recovery, and sulfolane stability in methanol were confirmed. • The method was applied to 109 field-derived rock samples from Alberta, Canada. Sulfolane is a water-miscible industrial solvent that has been widely utilized in various industries. Once released into the environment, it can infiltrate fractured rock structures in groundwater zones, leading to long-term contamination. Benzene, toluene, ethylbenzene, and xylenes (collectively known as BTEX) are commonly associated with sulfolane in the petrochemical industry. The presence and mobility of sulfolane can influence the distribution and transport behavior of BTEX at contaminated sites. Therefore, simultaneous analysis and monitoring of these compounds are crucial for understanding the source and fate of contamination. In this study, a gas chromatography-mass spectrometry (GC-MS) method was developed and validated for the simultaneous quantitation of sulfolane and BTEX in rock samples. To address the slow release of sulfolane observed in certain samples when left in methanol and to facilitate rapid analysis, a microwave-assisted extraction (MAE) method was optimized for sample preparation. Analysis of spiked samples yielded recoveries of 86% to 115% for the various analytes, with relative standard deviations of up to 7.9%. The validated method was then applied to rock samples collected from a contaminated site in central Alberta, Canada. All analyzed samples were contaminated with toluene. Only one sample was found to be contaminated with sulfolane. Ethylbenzene, o- xylene, m / p- xylene, and benzene, were detected in 82%, 44%, 40%, and 4% of the samples, respectively. Although the concentrations of these contaminants were all below the Alberta Tier 1 Soil Remediation Guidelines, the sampling covered only a limited depth. Therefore, additional sampling and investigation are necessary to conclusively determine the status of persistent contamination at the site.

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: Methods · Consensus signal: none
Teacher disagreement score0.008
Threshold uncertainty score0.017

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.002
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.013
GPT teacher head0.293
Teacher spread0.281 · 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
GenreMethods

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".

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Citations0
Published2025
Admission routes3
Has abstractyes

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