Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.14279/15822
Title: | Continuum model for the phase behavior, microstructure, and rheology of unentangled polymer nanocomposite melts | Authors: | Stephanou, Pavlos S. Mavrantzas, Vlasis G. Georgiou, Georgios C. |
Major Field of Science: | Engineering and Technology | Field Category: | Chemical Engineering | Issue Date: | 8-Jul-2014 | Source: | Macromolecules,2014, vol. 47, no. 13, pp. 4493-4513 | Volume: | 47 | Issue: | 13 | Start page: | 4493 | End page: | 4513 | Journal: | Macromolecules | Abstract: | We introduce a continuum model for polymer melts filled with nanoparticles capable of describing in a unified and self-consistent way their microstructure, phase behavior, and rheology in both the linear and nonlinear regimes. It is based on the Hamiltonian formulation of transport phenomena for fluids with a complex microstructure with the final dynamic equations derived by means of a generalized (Poisson plus dissipative) bracket. The model describes the polymer nanocomposite melt at a mesoscopic level by using three fields (state variables): a vectorial (the momentum density) and two tensorial ones (the conformation tensor for polymer chains and the orientation tensor for nanoparticles). The dynamic equations are developed for nanoparticles with an arbitrary shape but then they are specified to the case of spherical ones. Restrictions on the parameters of the model are provided by analyzing its thermodynamic admissibility. A key ingredient of the model is the expression for the Helmholtz free energy A of the polymer nanocomposite. At equilibrium this reduces to the form introduced by Mackay et al. (Science 2006, 311, 1740-1743) to explain the phase behavior of polystyrene melts filled with silica nanoparticles. Beyond equilibrium, A contains additional terms that account for the coupling between microstructure and flow. In the absence of chain elasticity, the proposed evolution equations capture known models for the hydrodynamics of a Newtonian suspension of particles. A thorough comparison against several sets of experimental and simulation data demonstrates the unique capability of the model to accurately describe chain conformation and swelling in polymer melt nanocomposites and to reliably fit measured rheological data for their shear and complex viscosity over large ranges of volume fractions and deformation rates. © 2014 American Chemical Society. | URI: | https://hdl.handle.net/20.500.14279/15822 | ISSN: | 15205835 | DOI: | 10.1021/ma500415w | Rights: | © American Chemical Society | Type: | Article | Affiliation : | University of Cyprus University of Patras FORTH-ICE/HT Polymer Physics |
Publication Type: | Peer Reviewed |
Appears in Collections: | Άρθρα/Articles |
CORE Recommender
SCOPUSTM
Citations
27
checked on Mar 14, 2024
WEB OF SCIENCETM
Citations
25
Last Week
0
0
Last month
0
0
checked on Oct 29, 2023
Page view(s)
290
Last Week
1
1
Last month
2
2
checked on Dec 22, 2024
Google ScholarTM
Check
Altmetric
Items in KTISIS are protected by copyright, with all rights reserved, unless otherwise indicated.