Balazs Anna C
Chemical Engineering Department, University of Pittsburgh, Pittsburgh, PA 15260, USA.
Annu Rev Phys Chem. 2007;58:211-33. doi: 10.1146/annurev.physchem.58.032806.104520.
Using a variety of computational techniques, I investigate how the self-assembly of complex mixtures can be guided by surfaces or external stimuli to form spatially regular or temporally periodic patterns. Focusing on mixtures in confined geometries, I examine how thermodynamic and hydrodynamic effects can be exploited to create regular arrays of nanowires or monodisperse, particle-filled droplets. I also show that an applied light source and chemical reaction can be harnessed to create hierarchically ordered patterns in ternary, phase-separating mixtures. Finally, I consider the combined effects of confining walls and a chemical reaction to demonstrate that a swollen polymer gel can be driven to form dynamically periodic structures. In addition to illustrating the effectiveness of external factors in directing the self-organization of multicomponent mixtures, the selected examples illustrate how coarse-grained models can be used to capture both the equilibrium phase behavior and the dynamics of these complex systems.
我运用多种计算技术，研究复杂混合物的自组装如何受表面或外部刺激引导，以形成空间规则或时间周期性的图案。聚焦于受限几何结构中的混合物，我探究如何利用热力学和流体动力学效应来创建纳米线的规则阵列或单分散的、充满颗粒的液滴。我还表明，可以利用外加光源和化学反应在三元相分离混合物中创建层次有序的图案。最后，我考虑限制壁和化学反应的综合效应，以证明膨胀的聚合物凝胶可被驱动形成动态周期性结构。除了说明外部因素在指导多组分混合物自组织方面的有效性外，所选示例还展示了粗粒度模型如何用于捕捉这些复杂系统的平衡相行为和动力学。
