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Orientation of Anisometric Layered Silicate Particles in Uncompatibilized and Compatibilized Polymer Melts Under Shear Flow: A Dissipative Particle Dynamics Study
Author(s) -
Gooneie Ali,
Schuschnigg Stephan,
Holzer Clemens
Publication year - 2016
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.201500045
Subject(s) - dissipative particle dynamics , mechanics , materials science , particle (ecology) , silicate , dissipation , shear (geology) , shear stress , composite material , polymer , shear flow , dissipative system , thermodynamics , physics , geology , chemical engineering , engineering , oceanography
The orientation of a three‐layered silicate particle in uncompatibilized and compatibilized polymer melts is studied under shear flows utilizing dissipative particle dynamics (DPD). Based on trajectories, pair distribution functions are calculated in orthogonal planes. Regardless of the applied flow direction, it is shown that the layers rearrange themselves so that their surfaces would be normal to the velocity gradient direction. The maximum shear stress values fall in numerical uncertainties in uncompatibilized systems while they show a characteristic overshoot in compatibilized counterparts. This overshoot is shown to be a result of (i) the large interfaces between the silicate layers and the matrix due to the exfoliation, and (ii) the increased energy dissipation due to friction at the interface.