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Record W3148832367 · doi:10.1021/acs.macromol.1c00263

PLP-SEC Investigation of the Influence of Electrostatic Interactions on the Radical Propagation Rate Coefficients of Cationic Monomers TMAEMC and MAPTAC

2021· article· en· W3148832367 on OpenAlexaff
Anna Urbanová, Ikenna H. Ezenwajiaku, A. N. Nikitin, Marián Sedlák, Hugo M. Vale, Robin A. Hutchinson, Igor Lacı́k

Bibliographic record

VenueMacromolecules · 2021
Typearticle
Languageen
FieldChemistry
TopicAdvanced Polymer Synthesis and Characterization
Canadian institutionsQueen's University
FundersEuropean Regional Development FundBASF CorporationVedecká Grantová Agentúra MŠVVaŠ SR a SAVAgentúra na Podporu Výskumu a Vývoja
KeywordsCationic polymerizationMonomerMethacrylamideCounterionChemistryPolymerizationPolymer chemistryMethacrylateChloridePolymerOrganic chemistryIonAcrylamide

Abstract

fetched live from OpenAlex

The decisive role of counterions on the propagation mechanism in the radical polymerization of ionized monomers is comprehensively studied. Propagation rate coefficients, k p, were obtained for cationic monomers [2-(methacryloyloxyethyl)]trimethylammonium chloride (TMAEMC) and [3-(methacryloylaminopropyl)]trimethylammonium chloride (MAPTAC) in aqueous solution by pulsed-laser polymerization combined with size-exclusion chromatography over broad ranges of monomer concentration (1–40 wt %), temperature (5–90 °C), pH (2–12), and salts selected to provide a molar counterion concentration, c counterion, between 0.05 and 3 mol·L –1 . Both monomers behave similarly under conditions at which repulsive electrostatic interactions between a polymer chain and a reacting monomer dominate ( c counterion < 0.2 mol·L –1 ). The k p values increase linearly with c counterion above this value due to screening of the repulsive interactions and follow the family behavior of nonionized methacrylate and methacrylamide monomers manifested by a higher k p for TMAEMC than for MAPTAC. The hydration of the polyelectrolyte chain is considered as an additional factor contributing to higher k p values for cationic TMAEMC at high c counterion values compared to its nonionized analogue 2-dimethylaminoethyl methacrylate. The extensive set of k p data can be represented using average activation energies of 14.4 ± 2.7 and 14.7 ± 2.0 kJ·mol –1 for TMAEMC and MAPTAC, respectively, and a preexponential factor that increases with c counterion . The batch polymerization of MAPTAC compared to that of TMAEMC reflects the differences in k p behavior for these monomers.

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 score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.008
GPT teacher head0.220
Teacher spread0.212 · 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

Citations10
Published2021
Admission routes1
Has abstractyes

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