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Record W4410014093 · doi:10.3389/feart.2025.1598970

Hydrogen storage potential in underground coal gasification cavities: a MD simulation of hydrogen adsorption and desorption behavior in coal nanopores

2025· article· en· W4410014093 on OpenAlex
Liru Tao, Hongye Feng, Yiwen Ju, Hongjian Zhu, Zixiang Wei

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

VenueFrontiers in Earth Science · 2025
Typearticle
Languageen
FieldEngineering
TopicMining and Gasification Technologies
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsCoalHydrogen storageAdsorptionDesorptionHydrogenNanoporeChemical engineeringMaterials scienceCoal gasificationWaste managementEnvironmental scienceChemistryNanotechnologyPhysical chemistryEngineeringOrganic chemistry

Abstract

fetched live from OpenAlex

Underground hydrogen storage (UHS) in geological formations presents a viable option for long-term, large-scale H 2 storage. A physical coal model was constructed based on experimental tests and a MD simulation was used to investigate the potential of UHS in underground coal gasification (UCG) cavities. We investigated H 2 behavior under various conditions, including temperatures ranging from 278.15 to 348.15 K, pressures in the range of 5–20 MPa, pore sizes ranging from 1 to 20 nm, and varying water content. We also examined the competitive adsorption dynamics of H 2 in the presence of CH 4 and CO 2 . The findings indicate that the optimal UHS conditions for pure H 2 involve low temperatures and high pressures. We found that coal nanopores larger than 7.5 nm optimize H 2 diffusion. Additionally, higher water content creates barriers to hydrogen diffusion due to water molecule clusters on coal surfaces. The preferential adsorption of CO 2 and CH 4 over H 2 reduces H 2 -coal interactions. This work provides a significant understanding of the microscopic behaviors of hydrogen in coal nanopores at UCG cavity boundaries under various environmental factors. It also confirms the feasibility of underground hydrogen storage (UHS) in UCG cavities.

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 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 score0.063
Threshold uncertainty score0.481

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
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 head0.010
GPT teacher head0.236
Teacher spread0.226 · 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