MONTE-CARLO SIMULATION OF LATTICE MODELS FOR MACROMOLECULES AT HIGH-DENSITIES

Polymer chain models on quadratic, cubic, triangular, and face-centered cubic lattices at volume fractions near unity are simulated with a Monte Carlo algorithm which transports beads from kinks or chain ends along the chain contour to another position of the chain by a slithering motion of the intervening chain part. Special cases are the slithering snake motion where the whole chain takes part in the slithering motion and a conformation change of a kink or an end group. For dense systems it is found that this algorithm is much more efficient than the slithering snake algorithm or algorithms which use only local motions. It can be used with good efficiency even for systems at a volume fraction of unity by moving chain parts collectively (collective motion algorithm). The computed chain dimensions agree with data obtained from other algorithms and with literature data. © 1990 American Institute of Physics.