We have carried out computer simulations of the freely jointed polymer chain with an excluded volume interaction using a dynamic Monte Carlo method for chain lengths N between N=8 and N=100. The equilibrium values of end‐to‐end distances and radius of gyration approach the asymptotic form ∼Nν for N≳70 (scaling limit) and excluded volume parameter d/l=1.0. The scaling limit decreases to lower N for lower d/l. Here l is the length of a chain unit and d is the excluded volume distance. The exponent is ν?0.6 for d/l≠0 and ν=0.5 for d/l=0. The structure function varies as S (k) ∼q−1/ν (q=kNν) over a wide range of q. This asymptotic behavior for large N is found for N≳16 and d/l≠0. Our results are carefully compared to previous studies on the same model where other types of Monte Carlo methods are used.
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15 September 1979
Research Article|
September 15 1979
Monte Carlo studies on the freely jointed polymer chain with excluded volume interaction
A. Baumgärtner;
A. Baumgärtner
Institut für Festkörperforschung der Kernforschungsanlage Jülich, Postfach 1913, West Germany
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K. Binder
K. Binder
Institut für Festkörperforschung der Kernforschungsanlage Jülich, Postfach 1913, West Germany
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J. Chem. Phys. 71, 2541–2545 (1979)
Citation
A. Baumgärtner, K. Binder; Monte Carlo studies on the freely jointed polymer chain with excluded volume interaction. J. Chem. Phys. 15 September 1979; 71 (6): 2541–2545. https://doi.org/10.1063/1.438608
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