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Progress in Computer Simulation of Bulk, Confined, and Surface‐initiated Polymerizations
Author(s) -
Bain Erich D.,
TurgmanCohen Salomon,
Genzer Jan
Publication year - 2013
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201200030
Subject(s) - strengths and weaknesses , variety (cybernetics) , focus (optics) , computer science , polymerization , point (geometry) , grafting , surface (topology) , polymer science , management science , statistical physics , materials science , polymer , mathematics , artificial intelligence , engineering , physics , geometry , optics , philosophy , epistemology , composite material
In this article we provide a brief summary of computational techniques applied to investigate polymerization reactions in general, with a focus on systems under confinement and initiated from surfaces. We concentrate on two major classes of techniques, i.e., stochastic methods and molecular modeling. We describe the major principles of the two classes of methodologies and point out their strengths and weaknesses. We review a variety of studies from the literature and conclude with an outlook of these two classes of computer simulation approaches as they are applied to “grafting from” polymerizations.