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Record W2037668302 · doi:10.1002/jrs.2866

Probing the phase transition behavior of acetonitrile confined in mesoporous silica by FT Raman spectroscopy

2011· article· en· W2037668302 on OpenAlexafffund
Dongxu Li, Yining Huang

Bibliographic record

VenueJournal of Raman Spectroscopy · 2011
Typearticle
Languageen
FieldMaterials Science
TopicMesoporous Materials and Catalysis
Canadian institutionsWestern University
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsAcetonitrileRaman spectroscopyMesoporous materialMesoporous silicaMaterials sciencePhase transitionNanoporePhase (matter)Analytical Chemistry (journal)SpectroscopyChemical engineeringChemistryNanotechnologyChromatographyOrganic chemistryThermodynamicsCatalysis

Abstract

fetched live from OpenAlex

Abstract Phase transitions of acetonitrile confined in mesoporous silica SBA‐15 and mesocellular silica foam (MCF) having different pore diameters of 39.0, 39.9, 28.4, 8.7, and 4.6 nm with corresponding pore openings of 20.9, 12.1, 10.0, 8.7, and 4.6 nm were investigated by FT Raman spectroscopy. Melting and freezing temperature depressions were found for acetonitrile confined in mesoporous silica with pore opening sizes of 20.9, 12.1, 10.0 and 8.7 nm. A thermal hysteresis between the cooling and heating cycles was also observed. It appears that the smaller the pore opening, the larger the depression of melting or freezing temperature. Although two solid ( ${\bf \alpha}$ and ${\bf \beta}$ ) phases exist in bulk acetonitrile, only the liquid →β phase transition was detected for acetonitrile confined in the nanopores of mesoporous silica. The ${\bf \beta} \rightarrow {\bf \alpha}$ solid‐to‐solid phase transition was not observed. For the mesoporous silica with the smallest pore size of 4.6 nm, neither the liquid $\rightarrow {\bf \beta}$ nor the ${\bf \beta} \rightarrow {\bf \alpha}$ transition was observed for the confined acetonitrile. The results demonstrate that FT Raman spectroscopy is a useful technique for studying the phase transition behavior of organic compounds confined in silica‐based hosts. Copyright © 2011 John Wiley & Sons, Ltd.

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)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.016
GPT teacher head0.271
Teacher spread0.254 · 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

Citations6
Published2011
Admission routes2
Has abstractyes

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