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A Model for Flow‐enhanced Nucleation Based on Fibrillar Dormant Precursors
Author(s) -
Roozemond Peter C.,
Steenbakkers Rudi J. A.,
Peters Gerrit W. M.
Publication year - 2011
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.201000059
Subject(s) - nucleation , spherulite (polymer physics) , deformation (meteorology) , chemical physics , materials science , flow (mathematics) , polymer , chemistry , thermodynamics , polymer chemistry , chemical engineering , crystallography , composite material , mechanics , organic chemistry , physics , engineering
Abstract A model for flow‐enhanced nucleation is presented based on the concept of a polymer melt containing a fixed number of nucleation precursors with a fixed size distribution. Depending on the size, precursors can either be active (i.e. susceptible to nucleation, the characteristic time scale of which is governed by the deformation rate) and grow into a spherulite or remain dormant. The size distribution of precursors is derived by combining nucleation theory and experimentally determined quiescent spherulite number densities. Longitudinal precursor growth, causing activation of dormant precursors, is a function of molecular deformation: the stretch of high molecular weight chains. Both the eXtended Pom‐Pom and the Rolie‐Poly model are tested to calculate the molecular deformation. A quantitative agreement is found between simulations and experimental results.