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Record W2054736567 · doi:10.1063/1.4813285

Note: Molecular architecture dependent hydrogen-bonded motifs, entropy change, and dielectric permittivity of alcohols

2013· article· en· W2054736567 on OpenAlexaff
G. P. Johari

Bibliographic record

VenueThe Journal of Chemical Physics · 2013
Typearticle
Languageen
FieldChemical Engineering
TopicThermodynamic properties of mixtures
Canadian institutionsMcMaster University
Fundersnot available
KeywordsDimerDipoleDielectricHydrogen bondEnthalpyPermittivityChemistryMonomerThermodynamicsEntropy (arrow of time)HydrogenCrystallographyMaterials scienceChemical physicsMoleculePolymerOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

Our previous studies showed that the static permittivity, ɛs, of some octanol isomers first increased on cooling, then decreased, and finally increased rapidly, and ɛs monotonically increased on compression such that the local minimum in ɛs vanished. Thus, while ɛs is the same at different temperatures and pressures, the density differs. To reconcile these findings with thermodynamic requirements, we propose that hydrogen bonded ring-dimers of near zero dipole moment that form on initial cooling and decrease ɛs, open to form linear-dimers on further cooling (or pressurizing). The H and O atoms at the terminals of the linear dimer form hydrogen bonds with the existing monomers and linear chains, thus extending the length of the H-bonded chains. This mechanism agrees with the enthalpy and entropy of formation of ring-dimer and linear-chain motifs.

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 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 score0.012
Threshold uncertainty score0.546

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.010
GPT teacher head0.211
Teacher spread0.201 · 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.

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
Published2013
Admission routes1
Has abstractyes

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