Abstract
Dynamic Monte Carlo simulations of isolated chains with excluded volume using a local overlap model produce scaling laws in good agreement with theory. Local overlap increases the local fiexibility of the chain while maintaining long range excluded volume, and it avoids certain complications with two bead motions. Comparisons were made for data with and without excluded volume and for data with and without end effects. It was found that the prefactors for the dynamic scaling laws can be estimated from a single simulation of a typical chain length. Also, the dimensionless ratio U=τD/〈R2〉 is constant with respect to chain length, but the value contrasts with previous lattice simulations [D. E. Kranbuehl and P. H. Verdier, J. Chem. Phys., 71, 2662 (1979); P. H. Verdier and D. E. Kranbuehl, Macromolecules, 20, 1362 (1987)] where τ is the longest relaxation time, D is the diffusion coefficient, and 〈R2〉 is the mean squared end-to-end vector.
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Kawaguchi, M. Monte Carlo Simulation of Polymer Chains with Excluded Volume on a Cubic Lattice. Local Overlap Model. Polym J 28, 543–547 (1996). https://doi.org/10.1295/polymj.28.543
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DOI: https://doi.org/10.1295/polymj.28.543
