Computer simulation of the motion of macromolecules with crosslinks

Autor: I.I. Romantsova, Yu.A. Taran
Rok vydání: 1981
Předmět:
Zdroj: Polymer Science U.S.S.R.. 23:191-203
ISSN: 0032-3950
DOI: 10.1016/0032-3950(81)90313-0
Popis: An algorithm was proposed and formulated in this study for the simulation of Brownian movement of macromolecules with crosslinks using a simple lattice model of a polymer chain. The movement of crosslinks was effected by the transition of kinetic units containing from four to six combined units the transition being compatible with the lattice. The method proposed was used for calculating standard physico-kinetic characteristics of four-point symmetrical radial macromolecules with one point-type crosslink. Results were compared with corresponding characteristics of linear chains. Calculations were carried out for chains of up to 64 units in length using a body-centered lattice.
Databáze: OpenAIRE