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Record W4407194456 · doi:10.1021/acs.jpcb.4c03909

Analytic Correlation for the Thermodynamic Properties of Water at Low Temperatures (200–300 K) and High Pressures (0.1–400 MPa)

2025· article· en· W4407194456 on OpenAlexafffund
Julia H. Grenke, Janet A.W. Elliott

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2025
Typearticle
Languageen
FieldEngineering
TopicPhase Equilibria and Thermodynamics
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaCanadian Institutes of Health ResearchUniversity of Alberta
KeywordsThermodynamicsCorrelationMaterials scienceChemistryMathematicsPhysics

Abstract

fetched live from OpenAlex

Water is vital to all facets of life and is anomalously behaving in its condensed states, making it continually a substance of interest to researchers. Therefore, attempting to capture its properties via correlations and equations of state is extremely valuable. Liquid water has not been studied as extensively in the low-temperature and high-pressure region as in other regions. Some key applications for correlations in this region are cryopreservation (specifically in certain methods of cryopreservation such as hyperbaric (high-pressure) and isochoric (constant-volume) cryopreservation), deep oceans, hydrospheres, clouds, and precipitation. Although there are not nearly as many models for water at low temperatures and high pressures as there are in other temperature and pressure ranges, there are some models that do currently exist. However, these either do not extend to temperatures and pressures as extreme as the data that exist, or they are complex with large numbers of parameters making them more difficult for application. Herein, we present a new correlation for liquid water valid for the temperature range of 200-300 K (-73-27 °C) and pressure range of 0.1-400 MPa that can analytically calculate volume, isothermal compressibility, isobaric expansivity, constant pressure heat capacity, and speed of sound, using only 17 adjustable parameters. The analytical expressions that we derived, and the fitting method that we used can also be applied to other fluids of interest in the future.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.004
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0000.002
Open science0.0010.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.004
GPT teacher head0.195
Teacher spread0.191 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
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

Citations1
Published2025
Admission routes2
Has abstractyes

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