使用随机顺序吸附算法检查短链聚合物的饱和覆盖度
Examination of saturation coverage of short polymers using random sequential adsorption algorithm
摘要：
我们填补了一个空白，定期或不对称的模式，没有重叠使用时间依赖性包装方法称为随机顺序吸附（RSA）。在无限的时间限制下，覆盖的密度经常达到极限。本研究的重点是饱和包装的正方形和他们的二聚体，三聚体，四聚体，五聚体，和六聚体，所有这些都是在两个随机选择的方向（垂直和水平）。我们的结果与以前的推断为基础的研究1。我们使用“分离轴定理”来检测新添加的多边形和先前放置的多边形是否重叠。当RSA插入变得不成比例地缓慢时，我们得出结论，已经达到饱和。我们还发现，当正方形被拉伸成二聚体和修剪体时，系统填充该区域的能力会下降。对饱和产物的微观结构进行了深入的研究，包括嵌段功能和二聚体和三聚体的结构排列。基于文献2的结果，可以预测吸附在衬底上的层不会阻碍扩散。此外，发现吸附的矩形的纵横比对堵塞极限处的覆盖百分比有影响，纵横比为2（如这里的二聚体）产生最高的堵塞覆盖。因此，目前的结果是对参考文献3中报告的更深入扩展。
英文摘要：
We filled a void with a regular or asymmetric pattern without overlap using a time-dependent packing method termed random sequential adsorption (RSA). In the infinite-time limit, the density of coverage frequently hits a limit. This study focused on the saturation packing of squares and their dimers, trimers, tetramers, pentamers, and hexamers, all of which were orientated in two randomly chosen orientations (vertical and horizontal). Our results concurred with those of previous extrapolation-based research1. We used the "separating axis theorem" to detect if freshly added polygons and previously put ones overlapped. When RSA insertion became disproportionately sluggish, we concluded that saturation had been attained. We also discovered that the system's capacity to fill the area decreased as squares were stretched into dimers and trimmers. The microstructure of the resultant saturation was also thoroughly investigated, including block function and the structural arrangement of dimers and trimers. Based on results of ref2, it is predicted that layer adsorbed onto a substrate will not hinder diffusion. Moreover, it was found that the adsorbed rectangles' aspect ratio had an impact on the coverage percentage at the jamming limit, with aspect ratios of 2 (like dimers here) producing the highest jamming coverage. As a result, the current results are a more in-depth expansion of the report in reference3.
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