Migration of volatile substances from recycled high density polyethylene to milk products

Vera, Paula; Canellas, Elena; Su, Qi-Zhi; Mercado, Daniel; Nerı́n, Cristina

doi:10.1016/j.fpsl.2022.101020

“…All molecules were randomly positioned in periodic simulation boxes. The polymeric macromolecules were constructed using the random walk (Tangled Chain) scheme of the Disordered System Builder having an initial density of 0.5 g/cm 3 . Using this construction scheme, we ignored crystalline or semicrystalline organizations and instead considered all systems as fully amorphous.…”

Section: Classical Molecular Dynamics Simulationsmentioning

confidence: 99%

“…2 Moreover, recycling, albeit a powerful solution to plastic pollution, is an aggravating factor to this issue due the increase of oligomers and monomers within recycled materials as a consequence of their degradation. 3,4 The dependence of monomer leaching on the external media is another complicating factor. Considering that the standard experimental determination of monomer leaching is a relatively wearying, time-consuming process, 5,6 it is impractical to experimentally analyze the myriad of different components contained by or exposed to polymers.…”

Section: Introductionmentioning

confidence: 99%

Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems

M. Mileo,

Krauter,

Sanders

et al. 2024

Preprint

0

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Polymers are the most common packaging materials used for food, beverages, cosmetics, and other consumer products. The ever-growing concern over pollution generated from single-use packaging materials, and the ensuing potential environment contamination resulting from their use has raised safety questions. Polymers used in these materials are often not spared from the presence of impurities, including unreacted monomers and small oligomers. The characterization of transport properties, including diffusion and leaching of these penetrant molecules is largely hampered by the long timescales involved in shelf-life experiments. In this work, we employ molecular simulation techniques to explore the main mechanisms involved in the bulk and interfacial transport of monomer molecules from three polymers commonly employed as packaging materials: polyamide-6, polycarbonate, and poly(methyl-methacrylate). Our simulations shed light on the main diffusion mechanisms for in- and outbound penetrant diffusion and provide rationalization for monomer leaching in model food formulations as well as bulky industry-relevant molecules. With these molecular-scale characterization we provide base insights to aid the design of polymer/consumer product interfaces with reduced risk of contamination and longer shelf-life.

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“…2 Moreover, recycling, albeit a powerful solution to plastic pollution, is an aggravating factor to this issue due the increase of oligomers and monomers within recycled materials as a consequence of their degradation. 3,4 The dependence of monomer leaching on the external media is another complicating factor. Considering that the standard experimental determination of monomer leaching is a relatively wearying, time-consuming process, 5,6 it is impractical to experimentally analyze the myriad of different components contained by or exposed to polymers.…”

Section: Introductionmentioning

confidence: 99%

Nanoscale analysis of plastic contaminants migration in packaging materials and potential leeching into model food systems

M. Mileo,

Krauter,

Sanders

et al. 2024

Preprint

0

View full text Add to dashboard Cite

Polymers are the most common packaging materials used for food, beverages, cosmetics, and other consumer products. The ever-growing concern over pollution generated from single-use packaging materials, and the ensuing potential environment contamination resulting from their use has raised safety questions. Polymers used in these materials are often not spared from the presence of impurities, including unreacted monomers and small oligomers. The characterization of transport properties, including diffusion and leaching of these penetrant molecules is largely hampered by the long timescales involved in shelf-life experiments. In this work, we employ molecular simulation techniques to explore the main mechanisms involved in the bulk and interfacial transport of monomer molecules from three polymers commonly employed as packaging materials: polyamide-6, polycarbonate, and poly(methyl-methacrylate). Our simulations shed light on the main diffusion mechanisms for in- and outbound penetrant diffusion and provide rationalization for monomer leaching in model food formulations as well as bulky industry-relevant molecules. With these molecular-scale characterization we provide base insights to aid the design of polymer/consumer product interfaces with reduced risk of contamination and longer shelf-life.

show abstract

“…Moreover, recycling, albeit a powerful solution to plastic pollution, exacerbates this issue due to the increase of oligomers and monomers within recycled materials as a consequence of their degradation. 4,5 The dependence of monomer leaching on external media interfacing with the polymer is another complicating factor. Considering that the standard experimental determination of monomer leaching is a relatively labor and time-consuming process, 6,7 it is impractical to experimentally analyze the myriad of different components contained by or exposed to polymers.…”

Section: ■ Introductionmentioning

confidence: 99%

Nanoscale Simulation of Plastic Contaminants Migration in Packaging Materials and Potential Leaching into Model Food Fluids

Mileo,

Krauter,

Sanders

et al. 2024

Langmuir

2

0

View full text Add to dashboard Cite

Polymers are the most commonly used packaging materials for nutrition and consumer products. The ever-growing concern over pollution and potential environmental contamination generated from single-use packaging materials has raised safety questions. Polymers used in these materials often contain impurities, including unreacted monomers and small oligomers. The characterization of transport properties, including diffusion and leaching of these molecules, is largely hampered by the long timescales involved in shelf life experiments. In this work, we employ atomistic molecular simulation techniques to explore the main mechanisms involved in the bulk and interfacial transport of monomer molecules from three polymers commonly employed as packaging materials: polyamide-6, polycarbonate, and poly(methyl methacrylate). Our simulations showed that both hopping and continuous diffusion play important roles in inbound monomer diffusion and that solvent−polymer compatibility significantly affects monomer leaching. These results provide rationalization for monomer leaching in model food formulations as well as bulky industry-relevant molecules. Through this molecular-scale characterization, we offer insights to aid in the design of polymer/consumer product interfaces with reduced risk of contamination and longer shelf life.

show abstract

Migration of volatile substances from recycled high density polyethylene to milk products

Cited by 17 publications

References 15 publications

Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems

Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems

Nanoscale analysis of plastic contaminants migration in packaging materials and potential leeching into model food systems

Nanoscale Simulation of Plastic Contaminants Migration in Packaging Materials and Potential Leaching into Model Food Fluids

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