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

Author:

Zappi Alessandro1ORCID,Biancolillo Alessandra2ORCID,Kassouf Nicholas1ORCID,Marassi Valentina1ORCID,Morozzi Pietro3,Tositti Laura1ORCID,Melucci Dora1ORCID

Affiliation:

1. Department of Chemistry “Giacomo Ciamician”, University of Bologna, 40126 Bologna, Italy

2. Department of Physical and Chemical Sciences, University of L’Aquila, 67100 L’Aquila, Italy

3. COOP ITALIA Soc. Cooperativa, Casalecchio di Reno, 40033 Bologna, Italy

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.

Publisher

MDPI AG

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