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Record W3107401036 · doi:10.1002/jrs.6033

Raman spectral behavior of N<sub>2</sub>, CO<sub>2</sub>, and CH<sub>4</sub> in N<sub>2</sub>–CO<sub>2</sub>–CH<sub>4</sub> gas mixtures from 22°C to 200°C and 10 to 500 bars, with application to other gas mixtures

2020· article· en· W3107401036 on OpenAlexafffund
D. Matthew Sublett, Eszter Sendula, Hector Lamadrid, Matthew Steele‐MacInnis, Georg Spiekermann, Robert J. Bodnar

Bibliographic record

VenueJournal of Raman Spectroscopy · 2020
Typearticle
Languageen
FieldEngineering
TopicPhase Equilibria and Thermodynamics
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaUniversität PotsdamUniversity of MissouriNational Science Foundation
KeywordsDiadRaman spectroscopyMole fractionChemistryAnalytical Chemistry (journal)Ternary operationFermi resonanceMolar volumeMoleculeCrystallographyPhysical chemistryThermodynamicsOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

Abstract The Raman spectral behavior of N 2 , CO 2 , and CH 4 in ternary N 2 –CO 2 –CH 4 mixtures was studied from 22°C to 200°C and 10 to 500 bars. The peak position of N 2 in all mixtures is located at lower wavenumbers compared with pure N 2 at the same pressure ( P )–temperature ( T ) ( PT ) conditions. The Fermi diad splitting in CO 2 is greater in the pure system than in the mixtures, and the Fermi diad splitting increases in the mixtures as CO 2 concentration increases at constant P and T . The peak position of CH 4 in the mixtures is shifted to higher wavenumbers compared with pure CH 4 at the same PT conditions. However, the relationship between peak position and CH 4 mole fraction is more complicated compared with the trends observed with N 2 and CO 2 . The relative order of the peak position isotherms of CH 4 and N 2 in the mixtures in pressure–peak position space mimics trends in the molar volume of the mixtures in pressure–molar volume space. Relationships between the direction of peak shift of individual components in the mixtures, the relative molar volumes of the mixtures, and the attraction and repulsion forces between molecules are developed. Additionally, the relationship between the peak position of N 2 in ternary N 2 –CO 2 –CH 4 mixtures with pressure is extended to other N 2 ‐bearing systems to assess similarities in the Raman spectral behavior of N 2 in various systems.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow)
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 score0.011
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0030.003
Meta-epidemiology (broad)0.0040.001
Bibliometrics0.0020.002
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0020.000
Research integrity0.0010.003
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 head0.006
GPT teacher head0.229
Teacher spread0.223 · 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; both teacher heads agree on what is shown here.

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

Citations19
Published2020
Admission routes2
Has abstractyes

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