Compact aerosol aggregate model (CA 2 M): A fast tool to estimate the aerosol properties of fractal-like aggregates
Compact aerosol aggregate model (CA 2 M): A fast tool to estimate the aerosol properties of fractal-like aggregates
复制标题
紧凑气溶胶聚集体模型 (CA 2 M)：估计分形聚集体气溶胶特性的快速工具
DOI：
10.1080/02786826.2023.2206442
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发表时间：
2023
影响因子：
5.2
通讯作者：
Jourdain C
中科院分区：
文献类型：
--
作者：
Jourdain C
从燃烧烟尘的形成到工程纳米颗粒的合成，分形聚集体的结构越来越受到人们的关注。在过去的十年里，利用日益复杂的建模技术，人们已经广泛地研究了由固体初级颗粒形成的纳米颗粒聚集体和团聚体，以及它们的后续处理。然而，社区仍然需要一种简单而通用的工具，能够在单个处理器上运行，可以估计气溶胶特性并将其与实验结果进行比较。许多气溶胶研究的重点是测量与粒子质量和动量传递以及与周围环境交换有关的性质。通常，简化的理论可以用来支持实验结果(例如，充电或传输)，但由于忽略了与粒子形态相关的复杂现象，因此显示出不同的结果。因此，当人们想要使用计算机模拟来在有限的时间内通过现实场景来生成和处理纳米聚集体时，存在一个权衡。本文介绍的工具为估算质量、体积、投影面积、表面积、流度直径、气动直径和有效密度提供了一种有效而现实的方法。这里讨论的关键特征包括组成集合体的主要颗粒的重叠和多分散性。计算机生成的显微照片也可用于扫描电子显微镜和透射电子显微镜的数据比较。这些代码--可根据要求提供--最初在MATLAB上运行，其构建方式是用户可以修改它，并将其扩展用于自己的研究。
The structure of fractal-like aggregates is of increasing interest to a variety of fields extending from combustion soot formation to synthesis of engineered nanoparticles. Nanoparticle aggregates and agglomerates formed of solid primary particles have been extensively studied, along with their subsequent processing, using increasingly sophisticated modeling techniques over the last decade. However, there is still a need for the community to have a simple and versatile tool, able to run on a single processor, which can estimate aerosol properties and compare them to experimental results. Many aerosol studies have focused on measuring the properties related to particle mass and momentum transfer and exchange with their surroundings. Often, simplified theories are available to support the experimental results (e.g., charging or transport) but show discrepancies due to the omission of complex phenomena related to particle morphology. Thus, there is a tradeoff when one wants to use computer simulations to generate and process nanoaggregates through realistic scenarios in a limited amount of time. The tool presented here provides an efficient and realistic means to estimate mass, volume, projected-area, surface-area, mobility diameter, aerodynamic diameter, and effective density. Critical features treated here include the overlap and polydispersity of primary particles composing the aggregate. Computer-generated micrographs are also available for Scanning Electron Microscopy and Transmission Electron Microscopy data comparison. The code – available on request – originally runs on MATLAB and is built such that users can adapt it and extend it for their own studies.