Polish version

Login form

register


Print

S. Sosnowski

Simple and exact Monte Carlo algorithm for modelling of complex

polymerization processes (in English)

Polimery 2011, No 7-8, 549


DOI: dx.doi.org/10.14314/polimery.2011.549


Summary

A new, exact Monte Carlo algorithm for the simulation of living/controlled polymerization processes is proposed. In the algorithm macromolecules are represented by doubly linked lists, which are natural models of macromolecules. It allows modelling of elementary reactions by forming/breaking of links in the doubly linked list. As a result the algorithm has a very simple structure and high efficiency. All details of the modeled system: kinetics, molecular weight distributions, microstructure of macromolecules, etc., are accessible at any moment of simulation. Practical aspects of implementation of the new algorithm were emphasized: data structures, flowcharts, and source codes (Pascal).


Key words: computer modelling, kinetics, molecular weight distribution, Monte Carlo simulation, chain microstructure


e-mail: stasosno@cbmm.lodz.pl

S. Sosnowski (255.7 KB)
Simple and exact Monte Carlo algorithm for modelling of complex polymerization processes (in English)