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Effect of Brownian rotation on the drift velocity of a nanorod
Journal of Aerosol Science ( IF 3.9 ) Pub Date : 2021-06-03 , DOI: 10.1016/j.jaerosci.2021.105821
George W. Mulholland , Charles Hagwood

A model set of equations including Brownian rotation dynamics is proposed to investigate the role of rotation on the drift velocity of nanorods in the direction of an external field (such as electrical). Both inertial and non-inertial Brownian rotation are considered and the more realistic non-inertial shows more correlation between the rotational and translational motion. The average drift velocity is computed from the spatial trajectory for each path and the ensemble average and its confidence interval are computed from the average of 300 trajectories. The key parameter for the trajectories is the maximum rotational stopping distance, θSt. For a value of about 0.6 radians and a length of about 60 nm, the nanorod velocity is midway between the limiting value for the large and small value of θSt. The reduced velocity is found to depend on the length of the nanorod but not the diameter. A method of estimating the 3D observed mobility from the 1D simulations based on the reduced velocity is proposed. The experimental results of Gopalakrishnan et al. (2015) for 200 nm gold nanorods are consistent with an enhancement from rotation coupling for the gold nanorods 200 nm long in the free molecule limit. The effect of an elastic collision boundary condition is also considered.



中文翻译:

布朗旋转对纳米棒漂移速度的影响

提出了包括布朗旋转动力学在内的一组模型方程,以研究旋转对纳米棒在外部场(例如电)方向上的漂移速度的作用。惯性和非惯性布朗旋转都被考虑,更现实的非惯性显示旋转和平移运动之间的相关性更大。平均漂移速度是根据每条路径的空间轨迹计算的,集合平均值及其置信区间是根据 300 条轨迹的平均值计算的。轨迹的关键参数是最大旋转停止距离θ St。对于约 0.6 弧度的值和约 60 nm 的长度,纳米棒速度介于θ。发现降低的速度取决于纳米棒的长度而不是直径。提出了一种基于降低的速度从 1D 模拟中估计 3D 观察到的流动性的方法。Gopalakrishnan 等人的实验结果。(2015) 200 nm 金纳米棒与金纳米棒的旋转耦合增强一致200 nm 长的自由分子极限。还考虑了弹性碰撞边界条件的影响。

更新日期:2021-06-03
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