Double-Spring Model for Nanoparticle Diffusion in a Polymer Network

The transport of nanoparticles (NPs) in polymer networks, as a typical simplified model describing various structures living systems, is profoundly important biomedical engineering and nanotechnology. Predicting the effective diffusivity an NP confined ordered network has been intriguing focus this frontier field. In present study, diffusion NPs unentangled for different radii stiffnesses numerically investigated by single-particle dissipative particle dynamics (DPD). It found that deformation due to junction deviation contributes significantly potential barrier U overcome during hopping, it dominant over strain energy induced loop stretching larger lower rigidity. Analyses based on theory continuum mechanics reveal relation between deformed can be described nonlinear spring. Taking into account effects both deviation, double-spring proposed characterize network. theoretical prediction good agreement with our numerical simulations qualitatively consistent previous studies. This helpful improve understanding dynamic behavior complex biological environment provide guidance designing applications.