TY - JOUR

T1 - Relaxation modes and rates of a single polymer chain in a periodic array of obstacles

AU - Hagita, Katsumi

AU - Takano, Hiroshi

PY - 2000

Y1 - 2000

N2 - The relaxation modes and rates of a single polymer chain in the two-dimensional space with periodically placed obstacles are studied by Monte Carlo simulations. The bond fluctuation model is used as a model of a polymer chain. The excluded volume interactions between segments are taken into account. Each segment of the polymer chain occupies a square of width 2a, where a is the lattice constant of the square lattice used in the bond fluctuation model. The obstacles are squares of width 8a and form a square lattice with the lattice constant 16a. From the lattice model of reptation, it is expected that a polymer chain in the periodic array of obstacles shows the reptation behavior. The behavior of the pth slowest relaxation rate of a polymer chain of N segments is found to agree with the prediction λp α p2/N3. The behaviors of the diffusion constant of the center of mass and the radius of gyration are also consistent with the relation DG/λp=1 α R2g, which is expected from the reptation theory.

AB - The relaxation modes and rates of a single polymer chain in the two-dimensional space with periodically placed obstacles are studied by Monte Carlo simulations. The bond fluctuation model is used as a model of a polymer chain. The excluded volume interactions between segments are taken into account. Each segment of the polymer chain occupies a square of width 2a, where a is the lattice constant of the square lattice used in the bond fluctuation model. The obstacles are squares of width 8a and form a square lattice with the lattice constant 16a. From the lattice model of reptation, it is expected that a polymer chain in the periodic array of obstacles shows the reptation behavior. The behavior of the pth slowest relaxation rate of a polymer chain of N segments is found to agree with the prediction λp α p2/N3. The behaviors of the diffusion constant of the center of mass and the radius of gyration are also consistent with the relation DG/λp=1 α R2g, which is expected from the reptation theory.

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U2 - 10.1143/PTPS.138.400

DO - 10.1143/PTPS.138.400

M3 - Article

AN - SCOPUS:0034337357

SP - 400

EP - 401

JO - Progress of Theoretical Physics Supplement

JF - Progress of Theoretical Physics Supplement

SN - 0375-9687

IS - 138

ER -