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Record W4391578525 · doi:10.1021/acs.iecr.3c04266

Competitive CO <sub>2</sub> /H <sub>2</sub> O Adsorption on CALF-20

2024· article· en· W4391578525 on OpenAlexafffund
Tai Nguyen, Bhubesh Murugappan Balasubramaniam, Nicholas Fylstra, Racheal P. S. Huynh, George K. H. Shimizu, Arvind Rajendran

Bibliographic record

VenueIndustrial & Engineering Chemistry Research · 2024
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaAlberta Innovates
KeywordsAdsorptionRelative humidityDesorptionThermogravimetric analysisChemistryLangmuirThermogravimetryLangmuir adsorption modelFlue gasGravimetric analysisSorptionAnalytical Chemistry (journal)ChromatographyThermodynamicsInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Equilibrium and breakthrough studies of H 2 O adsorption and the competition of CO 2 /H 2 O on a physisorbent metal–organic framework (MOF) CALF-20, commercialized for CO 2 capture from cement plants, are reported. Volumetric measurements and thermogravimetry were used to measure the water isotherm at various temperatures and relative humidity (RH) values. A cubic-Langmuir model was used to describe the water isotherms at different temperatures. Both adsorption and desorption dynamic column breakthrough experiments were performed at different RH values to examine different transitions in the isotherm. To quantify the competitive adsorption of CO 2 and H 2 O, both thermogravimetric analysis and dynamic column breakthrough techniques were required. A wide range of relative humidity (RH) values were considered, i.e., 10–90% RH. CALF-20 showed that high CO 2 loadings for RH were smaller than 47%, showing its exceptional capacity to be deployed for CO 2 capture from industrial flue gas. Beyond 70% RH, water was strongly adsorbed, resulting in a significant loss of CO 2 capacity. In the presence of CO 2, CALF-20 showed a unique phenomenon where water adsorption was suppressed, making it more favorable for practical applications. The modified Langmuir isotherm model was used to describe the competitive CO 2 loading as a function of water loading and temperature. A one-dimensional column model simulates the water dynamic column breakthrough and competitive CO 2 /H 2 O breakthroughs. Both concentration profiles and temperature histories agreed with the experimental results.

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)0.001
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
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 score0.045
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.004
Insufficient payload (model declined to judge)0.0010.001

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 head0.053
GPT teacher head0.305
Teacher spread0.252 · 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.

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

Citations41
Published2024
Admission routes2
Has abstractyes

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