MétaCan
Menu
Back to cohort
Record W4362588141 · doi:10.1002/cjce.24908

Modelling of polymerization kinetics and molar mass development in the nitroxide‐mediated polymerization ( <scp>NMP</scp> ) of styrene in supercritical carbon dioxide using the <scp>PC‐SAFT</scp> equation of state

2023· article· en· W4362588141 on OpenAlexfundvenueno aff
Porfirio López‐Domínguez, Marlene Ríos‐López, Jesús Eduardo Rivera‐Peláez, Fernando Barragán-Aroche, Eduardo Vivaldo‐Lima

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2023
Typearticle
Languageen
FieldEngineering
TopicPhase Equilibria and Thermodynamics
Canadian institutionsnot available
FundersDirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de MéxicoUniversidad Nacional Autónoma de MéxicoConsejo Nacional de Ciencia y TecnologíaMcMaster University
KeywordsMolar massPolymerizationMonomerPolymer chemistrySupercritical carbon dioxideSupercritical fluidChemistryPolymerStyreneDispersion polymerizationThermodynamicsMaterials scienceChemical engineeringOrganic chemistryCopolymer

Abstract

fetched live from OpenAlex

Abstract A mathematical model for polymerization kinetics and molar mass development in the nitroxide‐mediated polymerization (NMP) of vinyl monomers in supercritical carbon dioxide (scCO 2 ) has been developed. The method of moments is used for molar mass development. The perturbed‐chain statistical associating fluid theory (PC‐SAFT) equation of state is used to estimate the number of stable phases present at equilibrium in the reaction mixture, critical number average chain length at which polymer particles are formed, and monomer concentration in each phase. Pure and binary PC‐SAFT interaction parameters are estimated from liquid–liquid equilibrium (LLE) and liquid–vapour equilibrium (LVE) experimental data at 60 to 129°C. The effect of pressure on monomer conversion and molar mass development in the polymerization of styrene (Sty) using benzoyl peroxide (BPO) and 2,2,6,6‐Tetramethylpiperidinyl‐1‐oxyl (TEMPO) at 120°C and 300–500 bar is studied. It was observed that increasing pressure increases polymerization rate without significantly affecting molar mass development.

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: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.131
Threshold uncertainty score0.499

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.017
GPT teacher head0.192
Teacher spread0.175 · 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 designSimulation or modeling
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

Citations8
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueThe Canadian Journal of Chemical EngineeringSame topicPhase Equilibria and ThermodynamicsFrench-language works237,207