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Monte Carlo simulation studies of the size and shape of linear and star‐branched polymers embedded in the tetrahedral lattice
Author(s) -
Zifferer Gerhard
Publication year - 1999
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/(sici)1521-3919(19990901)8:5<433::aid-mats433>3.0.co;2-c
Subject(s) - monte carlo method , tetrahedron , lattice (music) , linear polymer , statistical physics , stars , random walk , star polymer , sample size determination , physics , thermodynamics , polymer , mathematics , materials science , geometry , statistics , nuclear magnetic resonance , astronomy , acoustics , polymerization
In recent years the author investigated the size and shape of linear and star‐branched model chains as a function of functionality (number of arms) F and chain length (total number of beads) N for several lattice and off‐lattice random walk models as well as for self‐avoiding random walks (embedded in the tetrahedral lattice) subjected to various thermodynamic conditions. Not only mean values – characteristic quantities averaged over a large number of configurations of given length, functionality and thermodynamic conditions – have been computed, but also distributions of shape parameters, and the correlation operative between size and shape has been explored. The present feature article in principle summarizes these results, however, the data given in part are recomputed for still larger sample sizes and chain‐lengths as in the underlying papers. In addition to stars with F = 4, 8 and 12 arms, so far unpublished investigations on stars with F = 3, F = 6 and F = 10 arms are presented and discussed.