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.块共聚物的中间相结构之间的结构相变：我们研究了使用动态自稳态的场技术从甲状腺结构到由外部剪切流诱导的圆柱结构的结构相变的动力学。通过在实际空间和系统大小调整技术中采用建模，我们成功地重现了与一阶相变和相共存相关的成核和生长过程。我们还发现了在初始周期结构和最终周期结构之间的所谓外延条件，在该结构中，过渡途径与基于实验数据的先前预测不同。2。在流体动力相互作用下块状共聚物的中间酶形成的淋巴结：我们开发了一种显性自我综合的现场理论的模拟技术，这些模拟技术显式地将水力学相互作用显现为水力学相互作用。使用此技术，我们在流体动力相互作用的影响下模拟了相分离的动力学。我们发现，只有在存在流体动力相互作用时才发现相位分离的加速度和最终平衡状态的实现。3。使用自一致的现场理论来模拟粘弹性属性：我们开发了一种技术来模拟通过与自然动态流动方程和自我构成理论相结合的聚合物系统的粘弹性特性。我们证实，计算应力场的程序与同质系统的最新推荐理论基本相同。4。除了上述作品以上，我们研究了其他一些主题，例如凝胶中的簇形成，控制块共聚物的相位分离结构，是块共聚物的相位分离结构，在密集的碰撞悬浮液中的空间有序结构，在密集的漏油悬挂和ON上。