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Record W3024842893 · doi:10.1002/mats.202000023

An Improved PO3G Model–Accounting for Cyclic Oligomers

2020· article· en· W3024842893 on OpenAlexafffund
Anh‐Duong Dieu Vo, Wei J. Cui, Kimberley B. McAuley

Bibliographic record

VenueMacromolecular Theory and Simulations · 2020
Typearticle
Languageen
FieldMaterials Science
Topicbiodegradable polymer synthesis and properties
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsOligomerCondensation polymerMass transferChemistryCatalysisThermodynamicsEvaporationPolymerChemical engineeringPolymer chemistryMaterials scienceOrganic chemistryChromatographyPhysicsEngineering

Abstract

fetched live from OpenAlex

Abstract A comprehensive model is developed for polycondensation of 1,3‐propanediol in a batch reactor. The model accounts for formation, consumption, and evaporation of cyclic oligomers. Measurements of species and end‐group concentrations in the reactor and collected condensate are used to estimate 36 kinetic and mass‐transfer parameters. The model and parameter estimates provide good fits to cyclic‐oligomer data obtained using four different levels of super‐acid catalyst. Predictions from the model reveal that end‐biting reactions are important for formation of cyclic oligomers during early stages of each batch‐reactor run, whereas back‐biting reactions become important at longer reaction times. Simulation results reveal that ring‐opening polyaddition reactions contribute significantly to growth of polymer chains at long reaction times.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.538
Threshold uncertainty score0.447

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 head0.021
GPT teacher head0.253
Teacher spread0.232 · 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.

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

Citations11
Published2020
Admission routes2
Has abstractyes

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