The statistical dimensions of macromolecular chains of fixed contour length can be rapidly calculated by Monte Carlo methods applied to a model consisting of dynamic self‐avoiding random chains on a lattice. This ’’slithering snake’’ model involves moving the head of a chain one space in a lattice with all other elements of the chain moving forward along the old contour. Possible moves of the head are selected at random, but if such a move is precluded by double occupancy, the old configuration is retained, with head and tail interchanged, and then counted as if a move were made. This technique gives unbiased statistical results except for the effect of double cul‐de‐sacs. The method can also be applied to interacting chains, either free or confined to a box. Calculations have been made for 10‐link chains on a square planar lattice for two different concentrations in infinite space and for two concentrations in a small box.
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1 December 1975
Research Article|
December 01 1975
Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition
Frederick T. Wall;
Frederick T. Wall
William Marsh Rice University, Houston, Texas 77001
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Frederic Mandel
Frederic Mandel
William Marsh Rice University, Houston, Texas 77001
Search for other works by this author on:
Frederick T. Wall
Frederic Mandel
William Marsh Rice University, Houston, Texas 77001
J. Chem. Phys. 63, 4592–4595 (1975)
Citation
Frederick T. Wall, Frederic Mandel; Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition. J. Chem. Phys. 1 December 1975; 63 (11): 4592–4595. https://doi.org/10.1063/1.431268
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