Citation: SONG Fenhong, LIU Chao, ZHOU Xuan. Molecular Dynamics Simulation of Heterogeneous Nucleation of Ar n Vapor onto a Spherical Solid Particle[J]. Acta Physico-Chimica Sinica doi: 10.3866/PKU.WHXB201301312 shu

Molecular Dynamics Simulation of Heterogeneous Nucleation of Ar n Vapor onto a Spherical Solid Particle

1.
1 Key Laboratory of Low-Grade Energy Utilization Technologies and Systems of Ministry of Education, College of Power Engineering, Chongqing University, Chongqing 400030, P. R. China;
2 Department of Mechanical Engineering, University of Michigan-Dearborn, Dearborn, MI 48128, USA

Received Date: 8 October 2012
Available Online: 31 January 2013
Fund Project: 高等教育博士点基金(20090191110016)资助项目 (20090191110016)

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 ar n 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^-9J·s^-1) exists at which homogeneous nucleation emerges and coexists with heterogeneous nucleation but heterogeneous nucleation still dominates the entire nucleation process.
- Heterogeneous nucleation,
- Cooling rate,
- Homogeneous nucleation,
- Cluster,
- Molecular dynamics simulation
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