Structure of model telechelic polymer melts by computer simulation

We present the results of molecular dynamics (MD) simulations of bead-and-spring models of associating polymers at melt-like densities. Specifically, we consider telechelic (i.e., end-functionalized) polymers of general formula AB n A , where the A terminals tend to associate with each other and the spacer chains have length n =12,18,26. Under these conditions, the terminal groups form clusters or micelles. These are interconnected by a large fraction of bridging chains (congruent to 70%), so that a reversible network or physical gel is formed. Depending on chain length and interaction strength among the terminals, we find that the micelles can be either quasi-spherical or worm-like. The latter can be quite large, including 10 2 or more associating groups. On average, the chains are stretched compared to the unperturbed state found in the corresponding homopolymer melts.