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Mechanism and Modeling of Emulsion Polymerization: New Ideas and Concepts – 2. Modeling Strategies
Author(s) -
Tauer Klaus,
Hernandez Hugo
Publication year - 2010
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.201050202
Subject(s) - emulsion polymerization , polymerization , mechanism (biology) , brownian dynamics , emulsion , computer science , materials science , polymer , chemistry , brownian motion , physics , organic chemistry , quantum mechanics
Abstract Summary: Molecular modeling strategies offer new insights into the mechanism of heterophase polymerization. The capabilities of Brownian dynamic simulations are illustrated by means of studies regarding radical entry and exist as essential steps in emulsion polymerization. Interestingly, the results allow certain generalizations which were not possible with macroscopic deterministic modeling strategies.