Ch. Vlahos et al., CONFORMATIONAL PROPERTIES OF DIBLOCK COPOLYMERS - MONTE-CARLO CALCULATIONS AND COMPARISON WITH THE RENORMALIZATION-GROUP PREDICTIONS, Macromolecules, 27(10), 1994, pp. 2726-2731
The conformational properties of an AB diblock copolymer chain with di
fferent kinds of interactions between the units are studied by off-lat
tice Monte Carlo simulation. Using the Pivot algorithm, we calculate t
he radii of gyration, the end-to-end square distances of the individua
l blocks and of the whole molecule, the distance between the two cente
rs of masses, and other static properties for various molecular weight
s and different solvent conditions. From these results, we obtain the
dimensionless ratios that describe the effects of the AB heterocontact
s relative to the precursor homopolymers. These quantities are compare
d with previous theoretical predictions.