MétaCan
Menu
Back to cohort
Record W2995062296 · doi:10.1002/jrs.5805

Shift in the Raman symmetric stretching band of N<sub>2</sub>, CO<sub>2</sub>, and CH<sub>4</sub> as a function of temperature, pressure, and density

2019· article· en· W2995062296 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueJournal of Raman Spectroscopy · 2019
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Laser Applications
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaU.S. Geological SurveyUniversität PotsdamUniversity of MissouriNational Science Foundation
KeywordsRaman spectroscopyChemistryAnalytical Chemistry (journal)Atmospheric temperature rangeInflection pointIntermolecular forceVolume (thermodynamics)ThermodynamicsMoleculeOpticsPhysics

Abstract

fetched live from OpenAlex

Abstract The Raman spectra of pure N 2 , CO 2 , and CH 4 were analyzed over the range 10 to 500 bars and from −160°C to 200°C (N 2 ), 22°C to 350°C (CO 2 ), and −100°C to 450°C (CH 4 ). At constant temperature, Raman peak position, including the more intense CO 2 peak ( ν +), decreases (shifts to lower wave number) with increasing pressure for all three gases over the entire pressure and temperature ( PT ) range studied. At constant pressure, the peak position for CO 2 and CH 4 increases (shifts to higher wave number) with increasing temperature over the entire PT range studied. In contrast, N 2 first shows an increase in peak position with increasing temperature at constant pressure, followed by a decrease in peak position with increasing temperature. The inflection temperature at which the trend reverses for N 2 is located between 0°C and 50°C at pressures above ~50 bars and is pressure dependent. Below ~50 bars, the inflection temperature was observed as low as −120°C. The shifts in Raman peak positions with PT are related to relative density changes, which reflect changes in intermolecular attraction and repulsion. A conceptual model relating the Raman spectral properties of N 2 , CO 2 , and CH 4 to relative density (volume) changes and attractive and repulsive forces is presented here. Additionally, reduced temperature‐dependent densimeters and barometers are presented for each pure component over the respective PT ranges. The Raman spectral behavior of the pure gases as a function of temperature and pressure is assessed to provide a framework for understanding the behavior of each component in multicomponent N 2 ‐CO 2 ‐CH 4 gas systems in a future study.

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.

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)
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 score0.046
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.005
GPT teacher head0.235
Teacher spread0.229 · 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