Bag Poulami, Nayak Shubhadip, Ghosh Pulak Kumar
Department of Chemistry, Presidency University, Kolkata-700073, India.
Soft Matter. 2024 Oct 23;20(41):8267-8277. doi: 10.1039/d4sm00848k.
We numerically examine the impacts of particle-wall alignment interactions on active species diffusion through a structureless narrow two-dimensional channel. We consider particle-wall interaction to depend on the self-propulsion velocity direction whereby some specific particle's alignments with respect to the boundary walls are stabilized more. Further, the alignment interaction is meaningful as long as particles are close to the confining boundaries. Unbiased diffusion of active particles for various possible stable velocity alignments against the walls has been examined. We show that for the most stable configuration leading to the self-propulsion velocity direction perpendicular to the wall, diffusivity becomes inversely proportional to the square of the alignment interaction torque. On the other hand, when the self-propulsion velocity direction making an acute angle to the channel walls is the most stable configuration, diffusion exponentially grows with strengthening alignment interaction. Hence, particle-wall interaction plays a pivotal role in the transport control of active particles through narrow channels. Moreover, the impacts of the alignment interactions on diffusion largely depend on the particle's self-propulsion properties and its chirality. Our simulation results can potentially be used to understand unbiased diffusion of artificial or living micro/nano-objects (such as virus, bacteria, Janus particles, ) though narrow confined structures.
我们通过数值方法研究了粒子 - 壁对齐相互作用对活性物质在无结构窄二维通道中扩散的影响。我们认为粒子 - 壁相互作用取决于自推进速度方向,据此某些特定粒子相对于边界壁的对齐更加稳定。此外,只要粒子靠近限制边界,对齐相互作用就有意义。我们研究了活性粒子在各种可能的与壁稳定速度对齐情况下的无偏扩散。我们表明,对于导致自推进速度方向垂直于壁的最稳定构型,扩散系数与对齐相互作用扭矩的平方成反比。另一方面,当自推进速度方向与通道壁成锐角是最稳定构型时,扩散随着对齐相互作用的增强呈指数增长。因此,粒子 - 壁相互作用在活性粒子通过窄通道的传输控制中起着关键作用。此外,对齐相互作用对扩散的影响在很大程度上取决于粒子的自推进特性及其手性。我们的模拟结果可能有助于理解人造或活的微/纳米物体(如病毒、细菌、 Janus 粒子等)在狭窄受限结构中的无偏扩散。