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Record W4408364104 · doi:10.1016/j.coche.2025.101117

Techniques for kinetic parameter estimation in free radical polymerization models

2025· article· en· W4408364104 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueCurrent Opinion in Chemical Engineering · 2025
Typearticle
Languageen
FieldChemistry
TopicAdvanced Polymer Synthesis and Characterization
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsKinetic energyPolymerizationEstimationRadical polymerizationStatistical physicsComputer scienceBiological systemChemistryEngineeringPhysicsBiologyClassical mechanicsPolymerOrganic chemistrySystems engineering

Abstract

fetched live from OpenAlex

Free radical polymerization (FRP) systems can have many reactions, leading to many kinetic parameters. The most common method to obtain values for kinetic parameters is weighted-least squares estimation, which uses multiple types of measured responses. Error-in-variables model estimation is used when there is significant uncertainty in the model inputs. When FRP models have many unknown parameters, it is difficult to estimate them all uniquely, so modelers often resort to model simplification or subset selection methods for parameter estimation. The aim of this review is to describe the most common techniques that modelers use for kinetic parameter estimation in FRP models. • Free radical polymerization models have a large number of kinetic parameters. • Weighted least-squares is the most common type of parameter estimation. • Error-in-variables model estimation is used to account for uncertain inputs. • Subset selection is used to estimate parameters while avoiding overfitting of data. • Direct experimental methods can estimate propagation and termination constants.

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.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.949
Threshold uncertainty score0.648

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 head0.020
GPT teacher head0.290
Teacher spread0.269 · 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