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Record W4412092954 · doi:10.1021/jacs.5c02093

Ionic Hydrophobic Gates on Metal–Organic Frameworks Enable High-Purity CO<sub>2</sub> Separation from Humid Flue Gas

2025· article· en· W4412092954 on OpenAlexafffund
Deyun Sun, Shangqing Chen, He Miao, Hongxue Xu, Yongxiang Sun, Lijuan Shi, Hongbo Zeng, Qun Yi

Bibliographic record

VenueJournal of the American Chemical Society · 2025
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaKey Research and Development Project of Hainan ProvinceNational Natural Science Foundation of ChinaCanada Research Chairs
KeywordsChemistryFlue gasAdsorptionIonic liquidGas separationIonic bondingChemical engineeringMetal-organic frameworkNanotechnologyOrganic chemistryMembraneCatalysisIonMaterials science

Abstract

fetched live from OpenAlex

Efficient extraction of high-purity CO 2 from humid flue gas via adsorptive separation offers a promising and sustainable solution for carbon reduction and downstream applications. However, the coadsorption of H 2 O vapor and N 2 from humid flue gas remains a persistent challenge that limits separation efficiency. To overcome this issue, this work introduces a novel concept of ionic hydrophobic gates on porous adsorbents, which enables one-step separation of high-purity CO 2 directly from humid flue gas. By assembling hydrophobic ionic liquids and fluorine-rich terephthalaldehyde onto the surface of a metal–organic framework (MOF), this design establishes H 2 O barriers and CO 2 channels on the outer shell while maintaining pore integrity in the core. The resulting core–shell material demonstrates exceptional CO 2 adsorption capacity and an extraordinary CO 2 /N 2 selectivity of 1780 (15/85, v/v), surpassing conventional adsorbents. Notably, dry CO 2 with 99.999% purity is successfully extracted from humid flue gas (relative humidity, RH = 100%) in a single breakthrough experiment. In situ diffuse reflectance Fourier transform infrared spectroscopy (in situ DRIFTS) and density functional theory calculations reveal that fluorine-rich hydrophobic sites act as effective H 2 O barriers, while ionic liquid segments facilitate the transport of CO 2 through hydrogen bonding and electrostatic interactions. Owing to its excellent scalability and broad compatibility with diverse MOF platforms, this ionic hydrophobic gating strategy offers a robust and versatile approach for constructing advanced gas separation materials, holding great promise for industrial applications in carbon capture, clean energy, and sustainable chemical processes.

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 head0.007
GPT teacher head0.247
Teacher spread0.240 · 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

Citations21
Published2025
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207