A novel approach for the quantification of recycled polyethylene terephthalate (r-PET) in commercial bottles is presented. Fifty-eight bottle samples from several brands and producers containing different percentages of r-PET were purchased from the market. Samples were analyzed by two spectroscopic methods: near-infrared (NIR) spectroscopy and attenuated total reflection (ATR) spectroscopy in the mid-infrared (MIR) region. No chemical pre-treatment was applied before analyses. The spectra were analyzed by partial-least squares (PLS) regression, and two models for NIR and MIR data were computed. Then, a multi-block regression was applied to join the two datasets. All models were validated by cross-validation and by excluding and projecting onto the model the replicated spectra of one sample at a time. Results demonstrated the potential of this approach, especially considering the variability of commercial samples in terms of additives, shape, or thickness of the bottles: for samples close to the centroids of the models (i.e., from 10 to 50% r-PET), the predictions of multi-block method seldom departed from the expected values of ±10%. Only for samples with 0% declared r-PET, the models showed poor prediction abilities.

Quantification of Recycled PET in Commercial Bottles by IR Spectroscopy and Chemometrics / Zappi, Alessandro; Biancolillo, Alessandra; Kassouf, Nicholas; Marassi, Valentina; Morozzi, Pietro; Tositti, Laura; Melucci, Dora. - In: ANALYTICA. - ISSN 2673-4532. - STAMPA. - 5:2(2024), pp. 219-232. [10.3390/analytica5020014]

Quantification of Recycled PET in Commercial Bottles by IR Spectroscopy and Chemometrics

Zappi, Alessandro
Primo
;
Kassouf, Nicholas;Marassi, Valentina;Morozzi, Pietro;Tositti, Laura;Melucci, Dora
2024

Abstract

A novel approach for the quantification of recycled polyethylene terephthalate (r-PET) in commercial bottles is presented. Fifty-eight bottle samples from several brands and producers containing different percentages of r-PET were purchased from the market. Samples were analyzed by two spectroscopic methods: near-infrared (NIR) spectroscopy and attenuated total reflection (ATR) spectroscopy in the mid-infrared (MIR) region. No chemical pre-treatment was applied before analyses. The spectra were analyzed by partial-least squares (PLS) regression, and two models for NIR and MIR data were computed. Then, a multi-block regression was applied to join the two datasets. All models were validated by cross-validation and by excluding and projecting onto the model the replicated spectra of one sample at a time. Results demonstrated the potential of this approach, especially considering the variability of commercial samples in terms of additives, shape, or thickness of the bottles: for samples close to the centroids of the models (i.e., from 10 to 50% r-PET), the predictions of multi-block method seldom departed from the expected values of ±10%. Only for samples with 0% declared r-PET, the models showed poor prediction abilities.
2024
Quantification of Recycled PET in Commercial Bottles by IR Spectroscopy and Chemometrics / Zappi, Alessandro; Biancolillo, Alessandra; Kassouf, Nicholas; Marassi, Valentina; Morozzi, Pietro; Tositti, Laura; Melucci, Dora. - In: ANALYTICA. - ISSN 2673-4532. - STAMPA. - 5:2(2024), pp. 219-232. [10.3390/analytica5020014]
Zappi, Alessandro; Biancolillo, Alessandra; Kassouf, Nicholas; Marassi, Valentina; Morozzi, Pietro; Tositti, Laura; Melucci, Dora
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/971795
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