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Record W2309087841 · doi:10.1021/acs.cgd.6b00137

Exploring the Effect of Temperature on a Mechanochemical Reaction by in Situ Synchrotron Powder X-ray Diffraction

2016· article· en· W2309087841 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.

Bibliographic record

VenueCrystal Growth & Design · 2016
Typearticle
Languageen
FieldMaterials Science
TopicX-ray Diffraction in Crystallography
Canadian institutionsMcGill UniversityCentre in Green Chemistry and Catalysis
Fundersnot available
KeywordsSynchrotronPowder diffractionDiffractionIn situX-ray crystallographyMechanochemistryReaction mechanismX-rayChemistryReaction rateChemical engineeringMaterials scienceCrystallographyCatalysisOrganic chemistryOptics

Abstract

fetched live from OpenAlex

We describe the first in situ and real-time study of a mechanochemical reaction by variable-temperature synchrotron powder X-ray diffraction. Using the dry milling synthesis of a coordination polymer as a model system, we reveal a change in reaction mechanism if temperature is increased, and a strong dependence of the reaction rate on temperature, with a ca. 6-fold increase of the rate of reactant depletion for a 45 °C rise in temperature. These experiments provide also the first direct evidence how a formally dry milling reaction is facilitated by water released from a hydrated reactant.

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)0.001
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 score0.006
Threshold uncertainty score0.733

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
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 head0.021
GPT teacher head0.235
Teacher spread0.214 · 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