Abstract
Acrylic pressure-sensitive adhesive (PSA) is widely used in transdermal drug delivery systems, while the diffusion behavior of drug molecules in PSA is of great importance. In this paper, PSAs with different cross-link densities were prepared by adjusting the ratio of cross-linkers. The effects of cross-link density and temperature on the diffusion of drugs in PSA were investigated by Fourier transform infrared attenuated total reflectance and molecular dynamics simulation. The consistency between the experimental and simulation results demonstrated that molecular dynamics simulation could be used to predict the diffusion behavior of drugs in PSA. The results showed that free volume and the wriggling of polymer chains are positively related to the diffusion coefficient of drug molecules, while hydrogen bonds hinder drug diffusion.