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Record W4416410856 · doi:10.1016/j.cartre.2025.100592

Evidence of plasma-driven nonequilibrium chemistry in graphene formation from gas-phase kinetic modeling

2025· article· en· W4416410856 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueCarbon Trends · 2025
Typearticle
Languageen
FieldMaterials Science
TopicGraphene research and applications
Canadian institutionsUniversity of Windsor
FundersNatural Sciences and Engineering Research Council of CanadaMitacs
KeywordsGrapheneNon-equilibrium thermodynamicsThermodynamic equilibriumChemical equilibriumYield (engineering)KineticsPlasmaKinetic energyMolecular dynamics

Abstract

fetched live from OpenAlex

Graphene can be synthesized entirely in the gas phase within microwave-assisted reactors operating at atmospheric pressure. Although these systems are sustained by plasmas with extremely high local temperatures, graphene formation occurs downstream where chemical kinetics govern molecular growth. A one-dimensional plug-flow model coupled with a sectional aerosol framework is used to evaluate how different detailed gas-phase chemical mechanisms influence graphene formation from an ethanol precursor. Five mechanisms commonly used for polycyclic aromatic hydrocarbon (PAH) chemistry—ABF, DLR, CALTECH, KAUST, and CRECK—are compared with experimental measurements of graphene yield and Feret diameter. The mechanisms predict very different onsets of graphene formation. Notably, the KAUST mechanism, despite its unrealistic assumption of irreversible PAH growth, reproduces experimental trends most closely. This outcome suggests that the plasma environment maintains a chemically frozen state where large PAHs behave as effectively irreversible species. Comparison between kinetic and equilibrium calculations confirms that PAH concentrations in the post-plasma region exceed equilibrium predictions by 18–20 orders of magnitude. Because the model itself does not include plasma physics, this kinetic–equilibrium disparity provides indirect, but not exclusive, evidence that plasma-driven processes push the system far from chemical equilibrium and enable the rapid molecular growth required for graphene formation. These findings explain why equilibrium models fail to predict graphene synthesis and demonstrate that model discrepancies can expose hidden nonequilibrium mechanisms.

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.

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 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 score0.439
Threshold uncertainty score0.408

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.036
GPT teacher head0.316
Teacher spread0.280 · 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