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Record W4288436180 · doi:10.26434/chemrxiv-2022-c7hp1

Post-Combustion CO2 capture by vacuum swing adsorption using a hydrophobic metal-organic framework (MOF), CALF-20: Multi-objective optimization and experimental validation

2022· preprint· en· W4288436180 on OpenAlexafffund
Tai Nguyen, George K. H. Shimizu, Arvind Rajendran

Bibliographic record

VenueChemRxiv · 2022
Typepreprint
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of CalgaryUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaInnotech AlbertaAlberta InnovatesCanada Foundation for Innovation
KeywordsFlue gasAdsorptionVacuum swing adsorptionPressure swing adsorptionSwingCabin pressurizationMaterials scienceMaximizationMetal-organic frameworkChemistryProcess engineeringMathematicsMechanical engineeringEngineeringOrganic chemistryMathematical optimizationComposite material

Abstract

fetched live from OpenAlex

In this paper, the ability of CALF-20, a hydrophobic metal-organic framework (MOF), to capture CO2 from dry flue gas (15/85 mol% of CO2/N2) using two different adsorption configurations, basic four-step vacuum swing adsorption (VSA), and four-step with light-product pressurization (LPP) was evaluated. Pareto curves, for the simultaneous maximization of CO2 purity and recovery, were generated. Five points from each Pareto curve representing five different process conditions were chosen to experimentally validate the model prediction. The experiments resulted in a CO2 purity and recovery of 95%, and 70%, respectively for the basic four-step cycle, while the four-step LPP resulted in 95% purity and 90% recovery, meeting US Department of Energy targets. The temperature history, the pressure transient, and the flow rate of different steps were in good agreement with the model predictions. The results of this study confirmed that CALF-20 is capable of separating CO2 from dry flue gas, demonstrating the potential of the MOF for practical separations.

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)0.001
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 score0.007
Threshold uncertainty score0.014

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.000
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 head0.018
GPT teacher head0.264
Teacher spread0.245 · 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

Citations4
Published2022
Admission routes2
Has abstractyes

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Same venueChemRxivSame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207