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Comprehensive Investigation of Various Structural Features of Bituminous Coals Using Advanced Analytical Techniques

2015· article· en· W2404527719 on OpenAlexaff
Kejiang Li, Rita Khanna, Jianliang Zhang, Mansoor Barati, Zhengjian Liu, Tao Xu, Tianjun Yang, Veena Sahajwalla

Bibliographic record

VenueEnergy & Fuels · 2015
Typearticle
Languageen
FieldEngineering
TopicThermochemical Biomass Conversion Processes
Canadian institutionsUniversity of Toronto
FundersBaosteel Group CorporationNational Natural Science Foundation of China
KeywordsFourier transform infrared spectroscopyAromaticityRaman spectroscopyAnalytical Chemistry (journal)ChemistrySpectroscopyDiffractionInfrared spectroscopyMoleculeOrganic chemistryPhysicsOptics

Abstract

fetched live from OpenAlex

An in-depth investigation was carried out on five Chinese coals using a range of advanced analytical techniques focused specifically on extracting structural parameters. Detailed investigations were carried out using Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and X-ray diffraction followed by peak deconvolution and data analysis. Correlations were established for parameters determined from different techniques. The FTIR data showed good linear relationships between the apparent aromaticity ( f a(FTIR) ) and ( R / C ) u with the H/C atomic ratio for all coals under investigation. These results indicate that FTIR spectroscopy coupled with appropriate data analysis can be successfully used to determine aromaticity and the coal rank. Raman spectroscopy data showed a negative linear relationship between the G L fraction and H/C ratio; no well-defined relationship was observed between other band fractions and the H/C ratio. The decrease of A D / A G with increasing H/C ratio indicates the growth of aromatic rings; i.e., the structure of the sample was closer to that of graphite. This result is in good agreement with the decrease of apparent aromaticity ( f a(FTIR) ) as determined by the FTIR spectroscopy. A good linear relationship was observed between the structural parameters ( f a(X-ray) and R X-ray ) determined with X-ray and coal rank (represented by the H/C ratio). Even though the correlations among parameters derived from three techniques showed a similar trend and were consistent with each other, FTIR, and X-ray diffraction techniques were found to be better than Raman spectra to characterize coal maturity. These findings have led to a simplified coal model based on the complementary information from different techniques on various aspects of the coal structure.

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 score0.002

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0020.001
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
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 head0.020
GPT teacher head0.248
Teacher spread0.228 · 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

Citations220
Published2015
Admission routes1
Has abstractyes

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