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Record W2426476965 · doi:10.1021/acs.jced.5b00517

Dissociation Constant (p<i>K</i><sub>a</sub>) and Thermodynamic Properties of Some Tertiary and Cyclic Amines from (298 to 333) K

2015· article· en· W2426476965 on OpenAlexaff
Ali Tagiuri, Mohanned Mohamedali, Amr Henni

Bibliographic record

VenueJournal of Chemical & Engineering Data · 2015
Typearticle
Languageen
FieldEngineering
TopicCarbon Dioxide Capture Technologies
Canadian institutionsUniversity of Regina
Fundersnot available
KeywordsThermodynamicsDissociation constantConstant (computer programming)Cyclic aminesChemistryPhysical chemistryMaterials scienceMathematicsPhysicsOrganic chemistryAmine gas treatingComputer science

Abstract

fetched live from OpenAlex

The potentiometric titration method was used to measure p K a values of nine amines [2-(diisopropylamino)ethanol [2-DIPA], N, N, N ′, N ′-tetrakis(2-hydroxypropyl)ethylenediamine [THPEDA], 2-{[2-(dimethylamino) ethyl]methyl amino} ethanol [2-DMAEMAE], tris[2-(2-methoxyethoxy)ethyl]amine [TMEEA], N -(2-hydroxyethyl) aniline [2-HEAN], 1-(2-hydroxyethyl)piperazine [HEP], piperazine [PZ], monoethanolamine [MEA], and N -methyldiethanolamine [MDEA] at (298.15, 303.15, 313.15, 323.15, and 333.15) K. p K a values of the last three amines were compared with published data to validate the procedure and assess the accuracy of the instrument. Thermodynamic quantities, such as standard enthalpy (Δ H °·kJ –1 ·mol –1 ) and entropy (Δ S o ·kJ –1 ·mol –1 ) for the dissociation process, were determined at 298.15 K using the van’t Hoff equation. From the experimental results, the values of the standard state thermodynamic properties were derived and compared to the values of commercially available amines used as absorbents for CO 2 capture. Among the studied amines, 2-DMAEMAE was identified as having a high p K a (9.18) and lower heat of dissociation than MEA (27.77 kJ/mol, as compared to 48.59 kJ/mol for MEA) and can therefore be considered a potential candidate for CO 2 capture applications.

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)0.001
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 score0.003
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.016
GPT teacher head0.197
Teacher spread0.181 · 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

Citations53
Published2015
Admission routes1
Has abstractyes

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