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Record W4412798191 · doi:10.1021/acs.macromol.5c01419

Influence of Intermolecular Interactions on Acrylate–Methacrylate Copolymerization Reactivity Ratios: From Bulk to Aqueous Solution

2025· article· en· W4412798191 on OpenAlexaff
Noushin Rajabalinia, Fatemeh Salarhosseini, Robin A. Hutchinson

Bibliographic record

VenueMacromolecules · 2025
Typearticle
Languageen
FieldChemistry
TopicAdvanced Polymer Synthesis and Characterization
Canadian institutionsQueen's University
FundersBASF Corporation
KeywordsCopolymerMethacrylateAcrylateReactivity (psychology)Polymer chemistryAqueous solutionIntermolecular forceIntermolecular interactionChemistryButyl acrylateMaterials scienceChemical engineeringOrganic chemistryPolymerMolecule

Abstract

fetched live from OpenAlex

The influence of both monomer concentration (1 wt % to bulk) and solvent polarity (ethanol/water mixtures varying from pure ethanol to pure water) on copolymer composition is systematically investigated for the copolymerizations of methyl acrylate (MA) with di(ethylene glycol) methyl ether methacrylate (DEGMEMA), methacrylic acid (MAA), and methyl methacrylate (MMA), as well as for acrylic acid (AA) with DEGMEMA. Nonlinear parameter estimation techniques are employed to estimate system reactivity ratios from in situ nuclear magnetic resonance spectroscopy measurements of comonomer composition drift followed to high conversions as well as from copolymer compositions measured for low-conversion samples produced by pulsed-laser polymerization. The study demonstrates that the reactivity ratios needed to describe copolymerization in polymer particles can differ substantially from those required to accurately represent aqueous-phase reactions in emulsion copolymerization. However, acrylate–methacrylate compositions in aqueous solution are effectively described using a single set of reactivity ratios ( r acrylate = 0.18 ± 0.02 and r methacrylate = 4.40 ± 0.30), independent of monomer functionality. The extensive data set provides additional important insights into the complex monomer–monomer, solvent–monomer, and solvent–solvent intermolecular interactions that control the copolymer composition in polar media.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.053
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.007
GPT teacher head0.255
Teacher spread0.248 · 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

Citations3
Published2025
Admission routes1
Has abstractyes

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