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Record W1977394269 · doi:10.1021/ef060199m

Effect of Aromatics on Deep Hydrodesulfurization of Dibenzothiophene and 4,6-Dimethyldibenzothiophene over NiMo/Al<sub>2</sub>O<sub>3</sub> Catalyst

2006· article· en· W1977394269 on OpenAlex
Tao Song, Zisheng Zhang, Jinwen Chen, Zbigniew Ring, Hong Yang, Ying Zheng

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.

Bibliographic record

VenueEnergy & Fuels · 2006
Typearticle
Languageen
FieldEngineering
TopicCatalysis and Hydrodesulfurization Studies
Canadian institutionsUniversity of OttawaUniversity of New Brunswick
Fundersnot available
KeywordsDibenzothiopheneHydrodesulfurizationChemistryCatalysisAdsorptionFlue-gas desulfurizationSulfurReaction rateSteric effectsOrganic chemistry

Abstract

fetched live from OpenAlex

The influence of different aromatics on the deep hydrodesulfurization (HDS) of dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) over a commercial NiMo/γ-Al 2 O 3 hydrotreating catalyst was investigated in a fixed-bed multiphase microreactor under designed conditions. Both the sulfur-containing compounds and the aromatic compounds in feeds and hydrotreated products were identified and quantified by GC−AED. Catalyst deactivation was observed, and a simple model for it was established. The kinetic behavior of these model compounds was studied with an assumption of pseudo-first-order reaction kinetics. The rate constants and the corresponding activation energies were determined, and the heat of adsorption for each compound on the catalyst surface was computed by density functional theory using the Material Studio software. The HDS rate for 4,6-DMDBT was much lower than that for DBT, which is attributed to the steric hindrance of the methyl groups at the 4 and 6 positions. The apparent activation energy of 4,6-DMDBT was higher than that of DBT under the same conditions. TThe HDS reaction rate significantly decreased with an increase of the content of aromatics in the feed. Aromatics with 2 or more rings were found to have stronger retardant effect on HDS than monoaromatics. This adverse effect was more pronounced for 4,6-DMDBT than for DBT. The competitive adsorption between the sulfur compounds and aromatics on the catalyst surface was the main reason for the decreased HDS efficiency as qualitatively verified by the heat of adsorption data.

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)0.000
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 score0.048
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.003
GPT teacher head0.191
Teacher spread0.187 · 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