物理化学学报Issue(4)：715-722,8.DOI:10.3866/PKU.WHXB201301312
氩蒸气在球形固体颗粒上异质核化的分子动力学模拟
Molecular Dynamics Simulation of Heterogeneous Nucleation of Argon Vapor onto a Spherical Solid Particle
摘要
Abstract
Heterogeneous nucleation often occurs in the atmosphere, but its microscopic mechanism is mostly unknown. In our work, molecular dynamics simulations were performed to explore the dynamic characteristics of the heterogeneous nucleation of supersaturated argon vapor onto a spherical solid nanoparticle. We discuss the effect of the cooling rate on the evolution of the system temperature, the cluster distribution, the cluster size, and the nucleation rate during the nucleation process. Our results show that the pre-existing nucleus plays an important role in the cluster formation stage. Furthermore, in the system with a pre-existing heterogeneous nucleus, a critical cooling rate (1.8×10-9 J·s-1) exists at which homogeneous nucleation emerges and coexists with heterogeneous nucleation but heterogeneous nucleation stil dominates the entire nucleation process.关键词
异质核化/冷却率/均质核化/团簇/分子动力学模拟Key words
Heterogeneous nucleation/Cooling rate/Homogeneous nucleation/Cluster/Molecular dynamics simulation分类
化学化工引用本文复制引用
宋粉红,刘朝,周轩..氩蒸气在球形固体颗粒上异质核化的分子动力学模拟[J].物理化学学报,2013,(4):715-722,8.基金项目
The project was supported by the Research Fund for the Doctoral Program of Higher Education, China (20090191110016).高等教育博士点基金(20090191110016)资助项目 （20090191110016）
