Understanding and Characterizing the Drug Sorption to PVC and PE Materials

Characterizing the sorption of drugs onto polyvinylchloride (PVC) and polyethylene (PE) materials in terms thermodynamic adsorption properties atomistic details (local arrangements, orientation, diffusion) is fundamental for development alternative that would limit drug phenomena plasticizer release. Here, a combination experiments sophisticated calculations potential mean forces are carried out to investigate paracetamol diazepam PE PVC surfaces. The simulated Gibbs free energies line with experimental interpretations. polymer–drug–water interface then characterized at molecular scale by an in-depth investigation local such as density, diffusion.