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Development of Dynamic Self-Consistent Field Theory on Macroscopic Viscoelastic Properties of Polymer Systems

聚合物体系宏观粘弹性动态自洽场论的发展

基本信息

批准号：
16340120
负责人：
KAWAKATSU Toshihiro
金额：
$ 7.68万
依托单位：
Tohoku University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
2004
资助国家：
日本
起止时间：
2004 至 2006
项目状态：
已结题

项目摘要

1.Structural Phase Transitions between Mesophases of Block Copolymers :We studied the dynamics of the structural phase transition from a gyroid structure to a cylindrical structure induced by an external shear flow using dynamic self-consistent field technique. By adopting a modeling in the real space and a system size adjustment technique, we succeeded in reproducing the nucleation and growth process associated with the first order phase transition, and phase coexistence. We also found the so-called epitaxial condition between the initial and the final periodic structures, where the transition pathway is different from the previous predictions based on the experimental data.2.Dynamics of Mesophase Formation of Block Copolymers under Hydrodynamic Interactions :We developed a simulation technique of dynamic self-consistent field theory that explicitly takes the hydrodynamic interactions into account. Using this technique, we simulated dynamics of the phase separation under the influence of the hydrodynamic interaction. We found an acceleration of the phase separation and a realization of the final equilibrium state only when the hydrodynamic interaction is present.3.Simulation of Viscoelastic Properties Using Self-Consistent Field Theory :We developed a technique to simulate the viscoelastic properties of polymeric systems by combining a hydrodynamic flow equation and a stress field calculated with the self-consistent field theory. We confirmed that our procedure to calculate the stress field is essentially identical to the most recent reptation theory for homogeneous systems.4.Other than the above-listed works, we studied some other topics, such as cluster formations in gels, controlling phase separation structures of block copolymers, spatially ordered structures in dense colloidal suspension, and so on.

1.嵌段共聚物中间相之间的结构相变：我们使用动态自一致场技术研究了由外部剪切流诱导的从螺旋结构到圆柱形结构的结构相变动力学。通过在真实空间中建模和系统尺寸调整技术，我们成功地再现了与一阶相变和相共存相关的成核和生长过程。我们还发现了初始和最终周期结构之间的所谓外延条件，其中的转变途径与先前基于实验数据的预测不同。在水动力相互作用下嵌段共聚物中间相形成动力学：我们开发了一种动态自一致场理论的模拟技术，明确考虑了水动力相互作用。利用这一技术，我们模拟了流体动力相互作用下相分离的动力学过程。我们发现只有当流体动力相互作用存在时，相分离才会加速，最终平衡状态才会实现。利用自洽场理论模拟粘弹性特性：我们开发了一种技术，通过结合流体动力学流动方程和用自洽场理论计算的应力场来模拟聚合物体系的粘弹性特性。我们证实，我们计算应力场的程序基本上与最近的均质系统的重复理论相同。除上述工作外，我们还研究了凝胶中的团簇形成、嵌段共聚物的相分离结构控制、致密胶体悬浮液中的空间有序结构等。