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Record W4405833328 · doi:10.1021/acs.inorgchem.4c04062

Relationship Between Electronegativity of the Extra-Framework Cations and Adsorption Capacity for CO<sub>2</sub> Gas on Mordenite Framework

2024· article· en· W4405833328 on OpenAlexaff
Soojin Lee, Hyunseung Lee, Huijeong Hwang, Donghoon Seoung, Hyeonsu Kim, Pyosang Kim, Yongmoon Lee

Bibliographic record

VenueInorganic Chemistry · 2024
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsFuture Earth
FundersMinistry of Science and ICT, South KoreaNational Research Foundation of KoreaNational Research Foundation
KeywordsChemistryMordeniteElectronegativityAdsorptionZeoliteDivalentInorganic chemistryIon exchangeCrystallographyMolecular sieveBilayerRietveld refinementIonCatalysisPhysical chemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Synthetic mordenite is widely used as a molecular sieve, adsorbent, and catalyst. To enhance these functionalities, it is crucial to understand the ion-exchange properties and cation-exchange sites of the zeolite. In this study, we analyzed the structural changes in fully Cs-, Sr-, Cd-, and Pb-exchanged mordenite by using synchrotron X-ray powder diffraction under ambient conditions. Rietveld structure refinement revealed that the Cs + cation is predominantly located near the 8-membered ring (8MR) due to its low electronegativity and hydration energy. In contrast, divalent cations such as Sr 2+ and Cd 2+ cations, with higher hydration energies compared to monovalent cations, are present as hydrated ions at the center of the 12-membered ring along the c -axis (12MRc). Pb 2+ ions, due to their higher electronegativity than the framework atoms, exhibit a strong affinity for the electron cloud of framework oxygen atoms, which positions them close to the wall of the 12MRc. The observed differences in the locations of the extra-framework cations are attributed to electrostatic and hydration effects. Furthermore, the CO 2 adsorption capacity was assessed based on the type and site of exchangeable cations. The findings indicate that an increase in the CO 2 adsorption capacity correlates with the number of cations that can effectively interact with CO 2 .

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.026
GPT teacher head0.262
Teacher spread0.236 · 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 source (direct Gemma or distilled Codex), 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

Citations6
Published2024
Admission routes1
Has abstractyes

Explore more

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