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A reactive coarse-grained model for polydisperse polymers.
- Source :
-
Polymer . Aug2016, Vol. 98, p88-99. 12p. - Publication Year :
- 2016
-
Abstract
- Most existing particle-based polymeric models are non-reactive, and usually constructed to be monodisperse. This deficiency limits the utilization of these models to understand the dependency of polymer properties on polydispersity. Here we report a coarse-grained model with pairwise interactions, yet is reactive and capable of in silico synthesis of polydisperse polymers in a step-wise manner. The polymerization of linear, branched, cross-linked and network polymers can be described by this reactive model. The chain length distribution of the resulting linear polymer agrees well with the Flory-Schulz distribution. The importance of polydispersity in polymer behaviors is highlighted in terms of kinetic (self-diffusivities of linear polymer melts) and mechanical properties (stress-strain responses of linear polymer glasses under uniaxial tension). [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00323861
- Volume :
- 98
- Database :
- Academic Search Index
- Journal :
- Polymer
- Publication Type :
- Academic Journal
- Accession number :
- 116843944
- Full Text :
- https://doi.org/10.1016/j.polymer.2016.06.018