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Record W4377943746 · doi:10.1002/apj.2935

Analysis of gas product changes during pyrolysis of oily sludge based on density functional theory calculation

2023· article· en· W4377943746 on OpenAlexaff
Qian Wen, Wencai Cheng, Dujiang Liu, Xiaoyi Cui, Zhiguo Shao, Shipei Xu, Zhicheng He, Xirui Lu

Bibliographic record

VenueAsia-Pacific Journal of Chemical Engineering · 2023
Typearticle
Languageen
FieldEngineering
TopicThermochemical Biomass Conversion Processes
Canadian institutionsPetro-Canada
FundersDepartment of Science and Technology of Sichuan Province
KeywordsPyrolysisPyrolysis–gas chromatography–mass spectrometryThermogravimetric analysisMass spectrometryDensity functional theoryPyrolytic carbonChemistryGas chromatographyOil sludgeChemical engineeringOrganic chemistryMaterials scienceWaste managementComputational chemistryChromatography

Abstract

fetched live from OpenAlex

Abstract Oily sludge is a kind of harmful solid waste produced by the petroleum industry. It is the key point of research to understand the mechanism of gas product changes during the pyrolysis process. This study combined density functional theory (DFT) calculation with a pyrolysis experiment to explore the changes in pyrolytic gas products from oily sludge. The results of thermogravimetric–mass spectrometry (TG–MS) and gas chromatography–mass spectrometry (GC–MS) showed that the gas products below 400°C were dominated by long‐chain hydrocarbons, but with the increase of the treatment temperature, the long‐chain hydrocarbons will decrease. The results of kinetics and thermodynamics showed that there were five stages of pyrolysis of oily sludge, and the values of E, ΔH, and ΔG were increased with the increase of pyrolysis temperature. The DFT calculation revealed that there were delocalized π‐electrons at the fracture‐prone sites, and the electrons on the functional groups of the molecule were more easily excited. The results can provide ideas for the pyrolysis mechanism of oily sludge and theoretical support for the optimization of the pyrolysis process.

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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
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 head0.007
GPT teacher head0.186
Teacher spread0.179 · 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

Citations2
Published2023
Admission routes1
Has abstractyes

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