The effect of rotational Brownian motion on Witten–Sander aggregates

The effect of rotational Brownian motion on Witten–Sander aggregates
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DOI:
10.1063/1.451107
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发表时间:
1986-08
影响因子:
4.4
通讯作者:
H. Hentschel;J. Deutch;P. Meakin
H. Hentschel;J. Deutch;P. Meakin
中科院分区:
化学2区
文献类型:
--
作者:
H. Hentschel;J. Deutch;P. Meakin

文献摘要

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研究了旋转扩散对Witten-Sander聚集体生长的影响。对一个模型进行了计算机模拟分析,其中增长的聚集体以旋转扩散常数Drot(R_(max))/[τrot(R_(max)/a)δ]旋转,而不可逆聚集的颗粒以扩散率α 2/τ0跳跃(τ0,τrot是平移和旋转跳跃的时间常数,a是晶格间距)。在模拟中,0.0002<(τ0/τrot)<1600在七个数量级上变化。一般来说,聚集体是各向异性的(尽管模型具有固有的对称性),具有纵向和横向长度尺度R和R。在尺度r R上,集群仍然是分形的,但在尺度R r R上,集群变成线性的。本文估计了R_∞对N、(τ_0/τ_rot)和δ的依赖关系,并与计算机数据作了比较。初始和渐近行为进行了研究,并确定了几个制度的增长。
The effect of rotational diffusion on the growth of Witten–Sander aggregates is examined. Computer simulations of a model are analyzed where the growing aggregate rotates with a rotational diffusion constant Drot(R∥)∼1/[τrot(R∥/a)δ], while the irreversibly aggregating particles jump with a diffusivity a2/τ0(τ0,τrot are the time constants for translational and rotational jumps and a is the lattice spacing). In the simulations 0.0002<(τ0/τrot)<1600 is varied over seven orders of magnitude. In general the aggregates are anisotropic (despite the inherent symmetry of the model) with longitudinal and transverse length scales R∥ and R⊥. On scales r≪R⊥ the cluster remains fractal, but on scales R⊥≪r≪R∥ the cluster becomes linear. Estimates of the dependence of R∥ on N, (τ0/τrot), and δ are made and compared with the computer data. Both initial and asymptotic behavior are investigated, and several regimes of growth identified.