Abstract

The leaching of bisphenol A (BPA) from polycarbonate (PC) has raised environmental and health concerns. Here, we designed molecular dynamics simulations to investigate molecular mechanisms underlying the migration of BPA from PC into different food simulants. The simulation results illustrated that BPA molecules are much easier to migrate into ethanol solution than water and palmitic acid. The investigation of nanostructure, solubility and diffusivity demonstrated that the leaching of BPA happens only when the solvent possesses small molecular size and good solubility to PC and BPA. These results expand our knowledge of migration of small molecules in polymer matrices.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.