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Record W4214919561 · doi:10.1002/cjce.24396

Modelling textural and mass transfer properties for gamma‐alumina catalysts using randomly generated pore networks

2022· article· en· W4214919561 on OpenAlexvenueno aff
S.C. Ferreira, Jan Verstraete, Elsa Jolimaître, Damien Leinekugel‐le‐Cocq, Christian Jallut

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2022
Typearticle
Languageen
FieldChemistry
TopicZeolite Catalysis and Synthesis
Canadian institutionsnot available
Fundersnot available
KeywordsPorosityPulsed field gradientMass transferDiffusionMaterials scienceSorptionMonte Carlo methodVolume (thermodynamics)HeliumThermodynamicsChemistryComposite materialChromatographyPhysical chemistryAdsorptionOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract A Monte Carlo approach is used to generate 2D and 3D networks of randomly connected cylindrical pores with a variety of configurations. These networks are created to represent the gamma‐alumina supports of hydrotreating catalysts. Textural properties from generated pore networks are compared with experimental values of porosity, specific surface area, and specific pore volume. The experimental properties were estimated using a helium pycnometer and nitrogen sorption isotherms for five gamma‐alumina samples. Simulated and experimental textural properties concur. Internal diffusion is simulated by 1D Fick diffusion within each pore of the network. A macroscopic diffusion parameter for vacuum distillate type molecules, previously obtained by inverse liquid chromatography and by pulsed‐field gradient nuclear magnetic resonance experiments on alumina samples, is predicted and confronted with experimental values. Diffusional properties are in good agreement when considering two hierarchically organized porous domains.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.114
Threshold uncertainty score0.465

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
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)0.0000.000

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 head0.021
GPT teacher head0.177
Teacher spread0.156 · 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.

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

Citations8
Published2022
Admission routes1
Has abstractyes

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