COOPERATIVE RELAXATIONS IN CONDENSED MACROMOLECULAR SYSTEMS .3. COMPUTER-SIMULATED MELTS OF CYCLIC POLYMERS

Computer simulations of dense systems with cyclic chains are demonstrated with the application of a motion mechanism based on cooperative rearrangements within closed dynamic loops. Systems of close-packed cyclic chains with lengths between 16 and 512 monomer units are generated on a cubic lattice with all sites occupied. Static properties of cyclic chains in equilibrated states of the systems are analyzed in terms of predictions based on Gaussian statistics and are compared with properties of linear chains simulated in analogous systems. Monomer motions and self-diffusion of cyclic chains are characterized in comparison with diffusion of equivalent linear chains. Results indicating comparable diffusion coefficients of long cyclic and linear chains are shown.