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Record W3161945258 · doi:10.1063/5.0049031

Surface thermodynamics at the nanoscale

2021· article· en· W3161945258 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 · 2021
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCurvatureKelvin equationThermodynamicsGibbs–Helmholtz equationEquation of stateGibbs free energyPhysicsChemistryMathematicsGeometryPhysical chemistry

Abstract

fetched live from OpenAlex

Fluid interfaces with nanoscale radii of curvature are generating great interest, both for their applications and as tools to probe our fundamental understanding. One important question is what is the smallest radius of curvature at which the three main thermodynamic combined equilibrium equations are valid: the Kelvin equation for the effect of curvature on vapor pressure, the Gibbs-Thomson equation for the curvature-induced freezing point depression, and the Ostwald-Freundlich equation for the curvature-induced increase in solubility. The objective of this Perspective is to provide conceptual, molecular modeling, and experimental support for the validity of these thermodynamic combined equilibrium equations down to the smallest interfacial radii of curvature. Important concepts underpinning thermodynamics, including ensemble averaging and Gibbs's treatment of bulk phase heterogeneities in the region of an interface, give reason to believe that these equations might be valid to smaller scales than was previously thought. There is significant molecular modeling and experimental support for all three of the Kelvin equation, the Gibbs-Thomson equation, and the Ostwald-Freundlich equation for interfacial radii of curvature from 1 to 4 nm. There is even evidence of sub-nanometer quantitative accuracy for the Kelvin equation and the Gibbs-Thomson equation.

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 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 score0.023
Threshold uncertainty score1.000

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)0.0010.000

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 head0.015
GPT teacher head0.230
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