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Record W2037729701 · doi:10.1063/1.481509

A resolution for the enigma of a liquid’s configurational entropy-molecular kinetics relation

2000· article· en· W2037729701 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

VenueThe Journal of Chemical Physics · 2000
Typearticle
Languageen
FieldMaterials Science
TopicMaterial Dynamics and Properties
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsThermodynamicsResidual entropyConfiguration entropyAnharmonicityMoleculeEntropy (arrow of time)ChemistrySpectral lineMaterials scienceCondensed matter physicsPhysicsQuantum mechanicsOrganic chemistry

Abstract

fetched live from OpenAlex

The literature data on the entropy and heat capacity of 33 glass-forming liquids have been used to examine the validity of the Adam–Gibbs relation between a liquid’s configurational entropy, Sconf, and its molecular kinetics. The critical entropy, sc*, of kB ln 2 (=0.956×10−23 J molecule−1 K−1) in the equation is less than even the residual entropy per molecule in a glass at 0 K, and this creates difficulties in determining the size of the cooperatively rearranging region, z*, in the liquid. It is argued that, z*=[1−(T0/T)]−1, and the temperature-invariant energy term, Δμ, is equal to RB, which has been determined from the knowledge of the Vogel–Fulcher–Tamman parameters B and T0, with R being the gas constant, and on the basis of the argument that the preexponential term of this equation is identical to that of the Adam–Gibbs relation. As the lattice modes in a glass are lower in frequency and more anharmonic than in its crystal, its vibrational entropy, Svib, would be higher than that of the crystal phase. Therefore, Sconf of a glass (and liquid) is significantly less than the difference between the entropy of the glass (and liquid) and the entropy of its completely ordered crystal phase. Both quantities, Svib and Sconf, have been estimated without reference to the vibrational spectra. The conclusions can be tested by determining z* and Δμ from measurements of the dielectric spectra of a liquid confined to nanometer-size pores. This is elaborated by a calculation for 3-bromopentane.

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 score0.010
Threshold uncertainty score0.164

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 integrity0.0000.000
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 head0.012
GPT teacher head0.227
Teacher spread0.215 · 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