Mapping by chain diffusion

One example of mapping by chain diffusion involved the case of lOmers of polyisoprene at 413 K. A dynamic mapping between a fully atomistic and a very simple coarse-grained model was demonstrated. Only chain stiffness was used to perform the mapping in that study. The local chain reorientation in both simulations was the same after the time scales had been determined by the diffusion coefficient. The decay times of the Rouse modes, however, were not equal, indicating that mapping by stiffness alone is too simplistic. 

---