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Record W1992343897 · doi:10.1063/1.3664621

Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams

2011· article· en· W1992343897 on OpenAlexaff
A. Martínez-Mesa, S. N. Yurchenko, S. Patchkovskii, Thomas Heine, Gotthard Seifert

Bibliographic record

VenueThe Journal of Chemical Physics · 2011
Typearticle
Languageen
FieldPhysics and Astronomy
TopicQuantum, superfluid, helium dynamics
Canadian institutionsSteacie Institute for Molecular Sciences
FundersMax-Planck-Institut für Physik Komplexer SystemeEuropean CommissionU.S. Department of Energy
KeywordsPhysisorptionGrand canonical ensembleAdsorptionHydrogenChemistryThermodynamicsGravimetric analysisBoltzmann constantHydrogen storagePhysicsAtomic physicsPhysical chemistryQuantum mechanicsMathematicsOrganic chemistry

Abstract

fetched live from OpenAlex

The physisorption of molecular hydrogen in model carbon foams has been investigated from \documentclass[12pt]{minimal}\begin{document}$50\text{ K}$\end{document}50K to room temperature. The study is carried out within the framework of the density functional theory for quantum liquids at finite temperatures. Calculations are performed in the grand canonical ensemble, i.e., the adsorbed fluid is assumed to be in equilibrium with an external gas of hydrogen molecules with concentrations ranging from \documentclass[12pt]{minimal}\begin{document}$8 \times 10^{-4}\; \text{kg}\, \text{m}^{-3}$\end{document}8×10−4kgm−3 to \documentclass[12pt]{minimal}\begin{document}$n=71\; \text{kg\,} \text{\emph {\emph {m}}}^{-3}$\end{document}n=71kgm−3. It is shown that, while strong zero-point energy effects are present even at room temperature, the adsorption isotherms exhibit only a weak dependence on the explicit incorporation of the bosonic exchange symmetry of hydrogen molecules. The increase of the average particle density prevents the deviations from the Maxwell-Boltzmann statistics to become noticeable if the system is cooled down. The volumetric storage capacity of these materials at low temperatures is about one half of the U. S. Department of Energy goal, while the gravimetric capacity is still far from the standards required by mobile applications. The relation between the microscopic structure of the hydrogen fluid and the calculated adsorption properties is also addressed.

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)0.000
metaresearch head score (Gemma)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.004
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.213
Teacher spread0.203 · 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

Citations12
Published2011
Admission routes1
Has abstractyes

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