Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China.
J Phys Chem B. 2011 Nov 24;115(46):13441-8. doi: 10.1021/jp205683x. Epub 2011 Oct 28.
We develop a mesoscale nonequilibrium simulation model to study the effect of steady shear on the hierarchical self-assembly of soft disklike particles in dilute solutions. By properly tuning shear rates and solvent conditions, soft disklike particles can self-assemble into flexible threads and bundle-like structures along the flow direction. Shear flow facilitates the self-assembly of soft disklike particles into one-dimensional long threads along the flow direction; however, it suppresses the formation of flexible bundles from the threads while decreasing the solvent quality. The relatively well-defined bundle structures along the flow direction can only be obtained when the solvent condition becomes even worse. Our study elucidates how the solvent condition and shear rate can be utilized to control the shear-induced self-assembled structures, which would enable designed nanofabrication.
我们开发了一种介观非平衡模拟模型，以研究稳态剪切对稀溶液中软盘状粒子的分级自组装的影响。通过适当调整剪切速率和溶剂条件，软盘状粒子可以沿流动方向自组装成柔性线和束状结构。剪切流促进软盘状粒子沿流动方向自组装成一维长丝；然而，当溶剂质量降低时，它会抑制丝的柔性束的形成。只有当溶剂条件变得更差时，才能沿着流动方向获得相对明确的束状结构。我们的研究阐明了如何利用溶剂条件和剪切速率来控制剪切诱导的自组装结构，这将能够实现设计的纳米制造。
