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Record W3177341676 · doi:10.1021/acs.iecr.1c00616

Bifunctionality of a MoS<sub>2</sub>-Amorphous Silica–Alumina-Dispersed Catalyst for Slurry-Phase Hydroconversion: Effect of Acid and Hydrogenating Site Ratios

2021· article· en· W3177341676 on OpenAlexafffund
Juliana Sánchez, Kevin J. Smith, Fanor Mondragón, Andrés Moreno

Bibliographic record

VenueIndustrial & Engineering Chemistry Research · 2021
Typearticle
Languageen
FieldEngineering
TopicCatalysis and Hydrodesulfurization Studies
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of CanadaEcopetrolUniversidad Nacional de ColombiaUniversidad de AntioquiaDepartamento Administrativo de Ciencia, Tecnología e Innovación (COLCIENCIAS)
KeywordsBifunctionalCatalysisPhenanthreneYield (engineering)Bifunctional catalystBrønsted–Lowry acid–base theoryDecalinCokeChemistrySlurryInorganic chemistryOrganic chemistryMaterials scienceMetallurgy

Abstract

fetched live from OpenAlex

To achieve maximum yield from bifunctional catalysts in slurry-phase hydrocracking of heavy oil, an appropriate balance between the acidic and hydrogenating functions of the catalyst is required. In this study, the bifunctional behavior of MoS2-amorphous silica–alumina (ASA) catalysts was investigated by varying the number of Brønsted acid sites (ηH+) and MoS2 edge sites (ηMo) associated with ASA and MoS2, respectively. Using a model feed consisting of phenanthrene and decalin, we report evidence of bifunctional catalysis for MoS2-ASA catalysts with ηH+/ηMo ratios between 3.1 and 15.5. Deviations from bifunctional behavior were also observed: at a low ηH+/ηMo ratio (0.39), phenanthrene hydrogenation was preferred, whereas at the highest ηH+/ηMo ratio (30.9), acid-catalyzed reactions dominated and promoted coke formation that resulted in catalyst deactivation. Considering that the in situ formation of MoS2 blocked some acid sites on the ASA, we introduced a new parameter that quantified the number of Brønsted acid sites available in the reactor system (ηH+c). We show that the total product yield correlated with ηH+c and that the maximum yield occurred for the catalyst with the highest ηH+c.

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)0.001
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 score0.030
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
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 head0.034
GPT teacher head0.295
Teacher spread0.261 · 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 teacher head, not a consensus.

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

Citations5
Published2021
Admission routes2
Has abstractyes

Explore more

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