Distribution kinetics modeling of nucleation, growth, and aggregation processes : Novel reactor engineering for the new millennium
Distribution kinetics modeling of nucleation, growth, and aggregation processes : Novel reactor engineering for the new millennium
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DOI：
10.1021/ie001034i
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发表时间：
2001-05
影响因子：
4.2
通讯作者：
B. J. McCoy
中科院分区：
文献类型：
--
作者：
B. J. McCoy
纳米技术的某些新兴领域依赖于自组装过程，导致分子结构的组织和有序或无序和无序。许多这样的过程可以理解为成核、可逆生长和可逆聚集的组合。我们开发了一个描述性的理论框架，通过人口平衡的集群质量分布，并显示其制定的质量矩。松弛平衡的计算显示的聚集，解聚，溶解，通过单体的添加，成核簇生长的影响，无论是单一的过程或各种组合。这些过程之间的竞争产生了各种不同的行为，这些行为在自然界和实验室中已经被观察到。可能阻碍自组织过程的问题包括粗化（奥斯特瓦尔德熟化）和玻璃状相变（非结晶固化）。这两个过程和其他过程都可以用团簇分布的动力学和它们的矩的动力学来描述。
Certain emerging fields of nanotechnology depend on self-assembly processes that lead to molecular structures which are organized and ordered or disorganized and disordered. Many such processes can be understood as combinations of nucleation, reversible growth, and reversible aggregation. We develop a descriptive theoretical framework through population balances for the cluster mass distribution and show the formulation of its mass moments. Calculations for relaxation to equilibrium show the effects of aggregation, deaggregation, dissolution, cluster growth by monomer addition, and nucleation, as either single processes or various combinations. Competition among the processes yields a variety of different behaviors that have been observed in nature and in the laboratory. Problems that can hinder self-organization processes include coarsening (Ostwald ripening) and glasslike phase transition (noncrystalline solidification). Both of these and other processes can be described by the kinetics of cluster distributions and the dynamics of their moments.