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Record W4415804656 · doi:10.26434/chemrxiv-2025-pzj1t

Sulfidation doses of nanoscale zerovalent iron particles need to be tuned to achieve high reactivity to different chlorinated solvent compounds

2025· article· W4415804656 on OpenAlexafffund
Siyuan Mu, Yanyan Zhang, Subhasis Ghoshal

Bibliographic record

VenueChemRxiv · 2025
Typearticle
Language
FieldEngineering
TopicEnvironmental remediation with nanomaterials
Canadian institutionsMcGill University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsSulfidationReactivity (psychology)DichloromethaneDegradation (telecommunications)TrichloroethyleneZerovalent ironSolventReaction rate constantReductive dechlorination

Abstract

fetched live from OpenAlex

The sulfur content in sulfidated nanoscale iron (S-nZVI) alters the degradation efficiency of trichloroethene (TCE), a common groundwater contaminant, but its impact on other chlorinated hydrocarbon contaminants (CHCs) has not been characterized. In this study, the anaerobic degradation of carbon tetrachloride (CT), chloroform (CF), trichloroethane (1,1,1-TCA) and TCE was assessed using S-nZVI at seven S loadings ([S/Fe] = 0.01−0.303). S-nZVI0.01 yielded the highest degradation rate constants for CT, 1,1,1-TCA, and CF, 1.77−10.9 times higher than nZVI and other S-nZVI. In contrast, S-nZVI0.075 yielded the highest rate constant for TCE. S-nZVI0.01 provides the most rapid electron release, and because CT, 1,1,1-TCA, and CF have higher electron affinity than water, their degradation is quickest at this [S/Fe]. TCE degradation was faster only at higher [S/Fe], where S-nZVI reactivity to water was diminished, and S-nZVI0.075 provided a 20-fold enhancement in electron selectivity to TCE over H2O. Although TCE was completely dechlorinated, the other CHCs were only partially dechlorinated. The degradation products dichloromethane and 1,1-dichloroethane were dechlorinated in the presence of their parent CHCs and at specific [S/Fe], although they were not dechlorinated as sole compounds. The results demonstrate that dechlorination rates and extents of CHCs can be optimized by tuning the sulfidation dose.

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 score0.170
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
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 head0.014
GPT teacher head0.233
Teacher spread0.219 · 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

Citations0
Published2025
Admission routes2
Has abstractyes

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