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Record W4390903190 · doi:10.1021/acs.jpcc.3c06276

Phase Equilibrium Conditions and Crystal Structure of Binary Hydrates Formed with 1-Methylpiperidine

2024· article· en· W4390903190 on OpenAlexaff
Kohei Yamamoto, Takuma Misawa, Haruki Ito, Satoshi Takeya, Saman Alavi, Ryo Ohmura

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2024
Typearticle
Languageen
FieldEnvironmental Science
TopicMethane Hydrates and Related Phenomena
Canadian institutionsUniversity of Ottawa
FundersJKA Foundation
KeywordsHydrateClathrate hydratePhase (matter)ChemistryCrystal structureThermodynamicsBinary systemAtmospheric pressureBinary numberCrystallographyOrganic chemistryGeology

Abstract

fetched live from OpenAlex

The measurements of thermophysical and crystalline properties were conducted to propose the use of binary structure H (sH) hydrates of 1-methylpiperidine for carbon capture and storage (CCS). 1-Methylpiperidine is one of the most effective large guest compounds to relax the phase equilibrium conditions of binary sH clathrate hydrates. To reduce energy consumption in hydrate-based CCS, the hydrates should be formed as close to room temperature and ambient atmospheric pressure as possible. Phase equilibrium conditions of hydrates formed in the N 2 + 1-methylpiperidine + water, CO 2 + 1-methylpiperidine + water, and N 2 + CO 2 + 1-methylpiperidine + water systems were measured. Powder X-ray diffraction and gas composition analyses were also conducted. In the N 2 + 1-methylpiperidine + water system, the binary structure H hydrate was formed under milder phase equilibrium conditions with higher temperature and lower pressure values, as compared to those of N 2 + neohexane hydrate and pure N 2 hydrate. In the CO 2 + 1-methylpiperidine + water and N 2 + CO 2 + 1-methylpiperidine + water systems, structure I (sI) hydrates were formed. This is attributed to the chemical reaction between CO 2, 1-methylpiperidine, and water in these systems, which prevents the sH hydrate formation. The composition of N 2 + CO 2 gas encapsulated into the binary sI hydrate was N 2:CO 2 = 0.20:0.80. CO 2 capture was successful with the sI hydrate.

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)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.002
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

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 head0.006
GPT teacher head0.242
Teacher spread0.237 · 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 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

Citations2
Published2024
Admission routes1
Has abstractyes

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