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A New Simulation Algorithm with Revised “Association Criteria” for Studying the Association of Heteroarm Star Copolymers

✍ Scribed by Jitka Havránková; Zuzana Limpouchová; Karel Procházka

Publisher: John Wiley and Sons
Year: 2005
Tongue: English
Weight: 241 KB
Volume: 14
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.200500040

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✦ Synopsis

Abstract

Summary: A new computational algorithm for dynamic lattice Monte Carlo simulations of the associative behavior of heteroarm copolymers in selective solvents was developed and optimized for efficient and relatively fast simulation studies. The algorithm is based on the Siepmann and Frenkel variant of the bias self‐avoiding walk procedure. Simultaneously, a new criterion for recognition of an associate was proposed. The first results on the micellization of heteroarm star copolymers are presented.
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