Solvent Effect on the Diffusion of Unentangled Linear Polymer Melts

摘要: We conducted molecular dynamics (MD) simulations to study how solvent chains affect the diffusion of linear polymers in unentangled regime. For monodisperse chains, self-diffusivity a tagged chain scales with its length. The length affects both prefactor and exponent, latter which ranges from −0.79 −0.85. scaling exponent here deviates −1 as predicted by Rouse model, may suggest that friction coefficient increases In addition, we carried out on two polydisperse melts, one Flory–Schulz distribution other Gaussian distribution. measured diffusivity function agrees simple proposed model accounting for heterogeneous medium.