Year: 2010
Communications in Computational Physics, Vol. 7 (2010), Iss. 2 : pp. 250–282
Abstract
We merge classical kinetic theories [M. Doi and S. F. Edwards, The Theory of Polymer Dynamics, 1986] for viscous dispersions of rigid rods, extended to semi-flexibility [A. R. Khokhlov and A. N. Semenov, Macromolecules, 17 (1984), pp. 2678-2685], and for Rouse flexible chains to model the hydrodynamics of polymer nano-rod composites (PNCs). A mean-field potential for the polymer-rod interface provides the key coupling between the two phases. We restrict this first study to two-dimensional conformational space. We solve the coupled set of Smoluchowski equations for three benchmark experiments. First we explore how rod semi-flexibility and the polymerrod interface alter the Onsager equilibrium phase diagram. Then we determine monodomain phase behavior of PNCs for imposed simple elongation and shear, respectively. These results inform the effects that each phase has on the other as parametric strengths of the interactions are varied in the context of the most basic rheological experiments.
You do not have full access to this article.
Already a Subscriber? Sign in as an individual or via your institution
Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.2009.08.204
Communications in Computational Physics, Vol. 7 (2010), Iss. 2 : pp. 250–282
Published online: 2010-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 33
-
Tailoring nanorod alignment in a polymer matrix by elongational flow under confinement: simulation, experiments, and surface enhanced Raman scattering application
Park, Jay Hoon | Joo, Yong LakSoft Matter, Vol. 10 (2014), Iss. 19 P.3494
https://doi.org/10.1039/c4sm00096j [Citations: 24] -
Mass and Volume Conservation in Phase Field Models for Binary Fluids
Shen, Jie | Yang, Xiaofeng | Wang, QiCommunications in Computational Physics, Vol. 13 (2013), Iss. 4 P.1045
https://doi.org/10.4208/cicp.300711.160212a [Citations: 68] -
Quasi-incompressible multi-species ionic fluid models
Yang, Xiaogang | Gong, Yuezheng | Li, Jun | Eisenberg, Robert S. | Wang, QiJournal of Molecular Liquids, Vol. 273 (2019), Iss. P.677
https://doi.org/10.1016/j.molliq.2018.10.033 [Citations: 1] -
A Moving Mesh Method for Kinetic/Hydrodynamic Coupling
Hu, Zhicheng | Wang, HeyuAdvances in Applied Mathematics and Mechanics, Vol. 4 (2012), Iss. 06 P.685
https://doi.org/10.4208/aamm.12-12S01 [Citations: 2] -
Computational Modeling of Biological Systems
Computational and Modeling Strategies for Cell Motility
Wang, Qi | Yang, Xiaofeng | Adalsteinsson, David | Elston, Timothy C. | Jacobson, Ken | Kapustina, Maryna | Forest, M. Gregory2012
https://doi.org/10.1007/978-1-4614-2146-7_11 [Citations: 7] -
Structure formation in sheared polymer-rod nanocomposites
Ji, Guanghua | Gregory Forest, M. | Wang, QiDiscrete & Continuous Dynamical Systems - S, Vol. 8 (2015), Iss. 2 P.341
https://doi.org/10.3934/dcdss.2015.8.341 [Citations: 0] -
The Phase Transition Model for Heat-Shrinkable Thermo-Sensitive Hydrogels Based on Interaction Energy
Peng, Qiujin | Zhang, Hui | Zhang, ZhengruCommunications in Computational Physics, Vol. 17 (2015), Iss. 2 P.594
https://doi.org/10.4208/cicp.050414.061014a [Citations: 2] -
Controlling the dispersion and orientation of nanorods in polymer melt under shear: Coarse-grained molecular dynamics simulation study
Park, Jay Hoon | Kalra, Vibha | Joo, Yong LakThe Journal of Chemical Physics, Vol. 140 (2014), Iss. 12
https://doi.org/10.1063/1.4868986 [Citations: 15] -
A Class of Conservative Phase Field Models for Multiphase Fluid Flows
Li, Jun | Wang, QiJournal of Applied Mechanics, Vol. 81 (2014), Iss. 2
https://doi.org/10.1115/1.4024404 [Citations: 21]