Multi-ring configurations and penetration of linear chains into rings on bonded ring systems and polycatenanes in linear chain matrices

Ring-linear blends composed of complexes bearing multiple rings are promising candidates for soft devices, and understanding the penetration linear chains into is essential enhancing their mechanical properties. Coarse-grained molecular dynamics simulations ring-linear bonded or polycatenanes two three were performed revealing conformations in blends. To investigate relationship between ring polymers chains, we considered linear-rich systems with fring = 0.05 0.1, where fraction complex. The number penetrating (nP) was estimated from Gauss linking all pairs chains. Dependence on size determined probability distributions nP. Average nP slightly higher than those rings. For single 3.41 when beads per a Nring 160. two-ring system poly-[2]-catenane 80 2.60 2.87, respectively, while three-ring poly-[3]-catenane 3.63 3.87, which that Since had even low Nring, properties crosslinked blend expected to be controlled by instead ring.