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Record W2335075434 · doi:10.1021/jp209598x

Specific Heat and Transformations of Water in 1.4 and 1.8 nm Pore-MCMs

2011· article· en· W2335075434 on OpenAlexaff
E. Tombari, G. Salvetti, G. P. Johari

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2011
Typearticle
Languageen
FieldMaterials Science
TopicMaterial Dynamics and Properties
Canadian institutionsMcMaster University
Fundersnot available
KeywordsMaterials scienceAtmospheric temperature rangeThermodynamicsVolume (thermodynamics)Analytical Chemistry (journal)ChemistryChemical engineeringChromatography

Abstract

fetched live from OpenAlex

Thermodynamic changes on transformations of water in MCMs of 1.4 and 1.8 nm diameter cylindrical pores were investigated by measuring the specific heat, C p,app, during cooling and during heating at 12 K/h rate in the 160–280 K range. The nature of the slow transformation was further investigated by measuring the dynamic specific heat by using temperature-modulated calorimetry. It led us to establish whether or not contributions to C p,app are thermally reversible. We found that a thermally reversible, monotonic change in C p,app of water occurs in 1.4 nm pore-MCM and a sigmoid-shape change occurs in 1.8 nm pore-MCM. C p,app measured during cooling and during heating is found to be the same at T < 227 K for 1.4 nm pore-MCM, and at T < 232 K for 1.8 nm pore-MCM, as is the real component of the complex specific heat, C p ′. This shows that the sigmoid-shape change in C p,app is not due to glass–liquid transition of water in the pores. This is further confirmed by showing that the C p,app features observed for water differ characteristically from the C p,app features of glycerol measured at the same 12 K/h rate. The continuous change in C p,app of water in the MCMs with change in T is reversible, and this indicates that water gradually converts to distorted ice-like structures on cooling, a process that is reversed on heating, until their fractional amounts reach a reversible equilibrium. The large sigmoid shape increase in C p,app on heating is attributed to the latent heat, similar to that seen on premelting of fine grain crystals. The findings put into question a conclusion from neutron scattering and NMR studies that water in 1.8 nm pores undergoes a structural and kinetic transition at ∼225 K, while remaining a liquid. Thermodynamic indication for a reversible low-density to high-density transition in water is not found.

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 score0.004
Threshold uncertainty score0.131

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 head0.015
GPT teacher head0.201
Teacher spread0.186 · 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

Citations18
Published2011
Admission routes1
Has abstractyes

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