✦ LIBER ✦

Implementation of a Modified Morton-Firth Algorithm for the Simulation of Polymerization Processes

✍ Scribed by Stanislaw Sosnowski

Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 210 KB
Volume: 19
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.201000038

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✦ Synopsis

Abstract

The first implementation of the Morton‐Firth algorithm for the simulation of living/controlled polymerization processes is presented. Modifications were introduced to the native algorithm, improving its simplicity. The validity of the new algorithm was confirmed by comparison of results with analytical solutions or numerical integrations of appropriate differential equations. The kinetics of polymerization, molecular weights, and molecular weight distributions were precisely reproduced. The efficiency of the proposed algorithm is close to the stochastic simulation algorithm developed by Gillespie.

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