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Quantifying stabilizing additive hydrolysis and kinetics through principal component analysis of infrared spectra of cross-linked polyethylene pipe

2022· article· en· W4225266676 on OpenAlexafffund
Michael Grossutti, Melanie Hiles, Joseph D’Amico, W. Callum Wareham, Benjamin Morling, Scott Graham, John Dutcher

Bibliographic record

VenuePolymer Degradation and Stability · 2022
Typearticle
Languageen
FieldChemistry
TopicSpectroscopy and Chemometric Analyses
Canadian institutionsUniversity of Guelph
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsKineticsCross-linked polyethylenePrincipal component analysisPolyethyleneHydrolysisInfraredInfrared spectroscopyChemistryMaterials scienceComponent (thermodynamics)Chemical engineeringPolymer chemistryOrganic chemistryBiological systemThermodynamicsComputer scienceOpticsPhysicsEngineeringBiology

Abstract

fetched live from OpenAlex

Peroxide crosslinked high-density polyethylene (PEX-a) is increasingly being used to replace traditional metal and concrete pipes in applications such as water, gas, and sewage transport. Stabilizing additives play important roles in enhancing the long-term stability of PEX-a pipes and understanding changes to these additives under in-service conditions is critical to further improvements in pipe lifetimes. We used infrared (IR) microscopy to measure spectra within the central portion of the walls of PEX-a pipe subjected to two different types of ageing: exposure to high temperature ( 85 ∘ C ) air and exposure to high temperature ( 85 ∘ C ) water. To analyze these data, we used principal component analysis (PCA) to implement an unsupervised multivariate analytical approach. This allowed us to identify distinct ageing pathways for the two types of ageing in the two-dimensional space defined by the first two principal components PC1 and PC2, which together account for 88% of the variance in the data. This representation of the data allowed us to associate each PC with different ageing processes in the pipes: changes in PC1 were due primarily to hydrolysis of stabilizing additive ester linkages , whereas changes in PC2 were due primarily to elevated temperature. The PCA showed that ageing in high temperature water produced spectral changes consistent with those measured for an in-service pipe and that water is the key component driving the changes. The results provide important information for PEX-a pipe ageing and stabilizing additive formulation design.

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 categoriesInsufficient payload (model declined to judge)
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 score0.261
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.002
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.053
GPT teacher head0.320
Teacher spread0.267 · 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

Citations9
Published2022
Admission routes2
Has abstractyes

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