Theory of polymer diffusion in polymer–nanoparticle mixtures: effect of nanoparticle concentration and polymer length

The dynamics of polymer-nanoparticle (NP) mixtures, which involves multiple scales and system-specific variables, has posed a long-standing challenge on its theoretical description. In this paper, we construct microscopic theory for polymer diffusion in the mixtures based combination generalized Langevin equation, mode-coupling approach, physics ideas. parameter-free an explicit expression remains tractable pair correlation level with equilibrium structures as input. Taking minimal polymer-NP mixture example, our correctly captures dependence NP concentration average interparticle distance. Importantly, exhibits power law decay length increases at dense NPs and/or long chain, marks emergence entanglement-like motion. work provides first-principle foundation to investigate dynamic problems diverse nanocomposites.