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How Good Are Coarse‐Grained Polymer Models? A Comparison for Atactic Polystyrene
Author(s) -
KarimiVarzaneh Hossein Ali,
van der Vegt Nico F. A.,
MüllerPlathe Florian,
Carbone Paola
Publication year - 2012
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201200111
Subject(s) - polystyrene , granularity , amorphous solid , polymer , computer science , materials science , expanded polystyrene , biological system , nanotechnology , statistical physics , chemistry , physics , organic chemistry , composite material , biology , operating system
This review provides an overview of the various coarse‐grained models that have been developed in the past few years for amorphous polystyrene. Different techniques to develop the force fields and different mapping schemes lead to models that perform differently depending on the properties investigated. This review collects and compares the models to guide the reader in the choice of the best model for the application of interest. It is expected that the central features of the various coarse‐graining procedures will also apply to systems other than polystyrene and that some of the conclusions about different coarse‐graining strategies are general.