We merge classical kinetic theories [M. Doi and S. F. Edwards, The Theoryof Polymer Dynamics, 1986] for viscous dispersions of rigid rods, extended to semi-flexibility [A. R. Khokhlov and A. N. Semenov, Macromolecules...We merge classical kinetic theories [M. Doi and S. F. Edwards, The Theoryof 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-rodcomposites (PNCs). A mean-field potential for the polymer-rod interface provides thekey coupling between the two phases. We restrict this first study to two-dimensionalconformational space. We solve the coupled set of Smoluchowski equations for threebenchmark experiments. First we explore how rod semi-flexibility and the polymer-rod interface alter the Onsager equilibrium phase diagram. Then we determine mon-odomain phase behavior of PNCs for imposed simple elongation and shear, respec-tively. These results inform the effects that each phase has on the other as parametricstrengths of the interactions are varied in the context of the most basic rheological ex-periments.展开更多
基金This research has been supported in part by the Air Force Office of Scientific Research,Air Force Materials Command,USAF,under grant number FA9550-06-1-0063,FA9550-08-1-0107 and the National Science Foundation through grants DMS-0605029,0626180,0548511 and 0604891,0724273 the Army Research Office contract 47089-MS-SR,and NASA URETI BIMat award No.NCC-1-0203.
文摘We merge classical kinetic theories [M. Doi and S. F. Edwards, The Theoryof 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-rodcomposites (PNCs). A mean-field potential for the polymer-rod interface provides thekey coupling between the two phases. We restrict this first study to two-dimensionalconformational space. We solve the coupled set of Smoluchowski equations for threebenchmark experiments. First we explore how rod semi-flexibility and the polymer-rod interface alter the Onsager equilibrium phase diagram. Then we determine mon-odomain phase behavior of PNCs for imposed simple elongation and shear, respec-tively. These results inform the effects that each phase has on the other as parametricstrengths of the interactions are varied in the context of the most basic rheological ex-periments.
