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Record W4405006423 · doi:10.1002/cctc.202401286

Predicting Liquid Organic Hydrogen Carrier Saturation in Dehydrogenation Cell Gas Diffusion Layers for Hydrogen Storage

2024· article· en· W4405006423 on OpenAlexafffund
Aida Farsi, Lijun Zhu, Tess Seip, Aimy Bazylak

Bibliographic record

VenueChemCatChem · 2024
Typearticle
Languageen
FieldEngineering
TopicFuel Cells and Related Materials
Canadian institutionsUniversity of New BrunswickUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaMitacsCanada Research ChairsCanada Foundation for Innovation
KeywordsSaturation (graph theory)HydrogenTortuosityPorosityMethylcyclohexaneChemical engineeringChemistryThermal diffusivityDehydrogenationGaseous diffusionCatalysisPorous mediumMaterials scienceChemical physicsFuel cellsOrganic chemistryThermodynamics

Abstract

fetched live from OpenAlex

Abstract Dehydrogenating methylcyclohexane (MCH) as a liquid organic hydrogen carrier offers a promising method for producing stored hydrogen. However, the transport properties of the gas diffusion layers (GDLs) in dehydrogenation cells (D‐cells) have not yet been optimized for high reactant saturation at the GDL‐catalyst layer (CL) interface, which is crucial for increasing hydrogen production. We applied pore network modeling (PNM) to quantify the anisotropic transport properties and local saturation of MCH in GDLs with distinct microstructures. We demonstrate that GDLs with larger mean pore diameters and lower tortuosity exhibit higher MCH permeability and diffusivity. Moreover, a high porosity at the GDL‐CL interface increases MCH saturation (from 0.05 to 0.11), highlighting the impact of local GDL porosity on MCH supply to the catalyst. The results of the invasion percolation simulation revealed that smaller pore sizes lead to a longer MCH transport pathway to the GDL‐CL interface, thereby reducing MCH saturation at this interface (by more than twofold), which hinders reactant availability for hydrogen production. Therefore, we recommend a GDL that combines large pores for efficient MCH flow and small pores close to the CL for liquid retention to enhance MCH utilization in the anode of D‐cell, particularly at high current densities.

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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.126
Threshold uncertainty score0.890

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 head0.005
GPT teacher head0.193
Teacher spread0.188 · 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 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

Citations0
Published2024
Admission routes2
Has abstractyes

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