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Record W4406212811 · doi:10.1021/acs.jpclett.4c03074

Temperature-Controlled Gas Hydrate Nucleation in the Heterogeneous Environment

2025· article· en· W4406212811 on OpenAlexaff
Zhengcai Zhang, Peter G. Kusalik, Guang‐Jun Guo, Yanlong Li, Lixin Huang, Nengyou Wu

Bibliographic record

VenueThe Journal of Physical Chemistry Letters · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicMethane Hydrates and Related Phenomena
Canadian institutionsUniversity of Calgary
FundersNational Natural Science Foundation of China
KeywordsNucleationClathrate hydrateHydrateChemical physicsChemistryContext (archaeology)Materials scienceThermodynamicsChemical engineeringOrganic chemistryPhysicsGeology

Abstract

fetched live from OpenAlex

Nucleation of multicomponent systems is a pervasive phenomenon in nature and is pertinent to a diverse array of scientific and industrial challenges. The nucleation mechanisms of immiscible multicomponent systems remain unclear. Here, gas hydrate is employed as a model system to study the nucleation of multicomponent systems. The effect of gas/liquid and solid/liquid interfaces on hydrate nucleation is examined through molecular dynamics simulations. The results demonstrate that gas hydrates tend to nucleate in the solution phase in the proximity of the gas/liquid interface at lower temperatures, which is controlled by mass transfer. As the temperature increases, the location of hydrate nucleation gradually shifts from the gas/liquid interface to the solid/liquid interface. We anticipate that the nucleation free energy barrier dominates the hydrate nucleation process at these conditions, making the heterogeneous nucleation with a lower free energy barrier more probable. The findings provide molecular insights into the mechanism and pathway underlying interface-induced gas hydrate nucleation. These insights will inform the development of the theory of gas hydrate nucleation, particularly in the context of heterogeneous nucleation.

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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.006

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 integrity0.0000.000
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 head0.003
GPT teacher head0.193
Teacher spread0.190 · 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
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

Citations10
Published2025
Admission routes1
Has abstractyes

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