Molecular dynamics simulation of nano cluster-seed effects on heterogeneous nucleation

Donguk Suh, Seung Chai Jung, Woong Sup Yoon

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

A three-dimensional heterogeneous nucleation is simulated by classical molecular dynamics, where the Lennard-Jones gas and solid nano cluster-seed molecules have argon and aluminum properties, respectively. All dimensions of the wall are periodic and a soft core carrier gas within the system controls the temperature rise induced by latent heat of condensation. There are three shapes of cluster-seeds being cube, rod, and sphere, three classes of masses, and the simulation took place under nine supersaturation ratios, making a total of 81 calculations. An analysis of variance was performed under a three-way layout to analyze the cluster-seed and supersaturation ratio effects on the system. For supersaturation ratios above the critical value nucleation rates were evaluated, below growth rates, and overall liquefaction rates were each defined and calculated. Results show that the supersaturation ratio dominantly controls all rates, but seed characteristics are important for the growth of the largest cluster under the critical supersaturation ratio. Overall liquefaction increases subject to an escalation of supersaturation ratio and seed mass. However, the significance of the supersaturation ratio for overall liquefaction suggests that thermal diffusion is more dominant than mass interactions for this system. Homogeneous characteristics are also compared with the heterogeneous system to find that though nucleation may occur for an insufficient supersaturation ratio when a seed is within the system, the addition of a seed does not in fact facilitate the increase in rates of the phenomena at high supersaturation ratios. Finally a comparison with the classical nucleation theory asserts a 3 to 4 order of magnitude difference, which is within the lines of deviation when it comes to theory and molecular simulations.

本文言語English
ホスト出版物のタイトルProceedings of the 7th International Conference on Nanochannels, Microchannels, and Minichannels 2009, ICNMM2009
ページ887-894
ページ数8
PART B
DOI
出版ステータスPublished - 2009 12 1
イベント7th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM2009 - Pohang, Korea, Republic of
継続期間: 2009 6 222009 6 24

出版物シリーズ

名前Proceedings of the 7th International Conference on Nanochannels, Microchannels, and Minichannels 2009, ICNMM2009
番号PART B

Other

Other7th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM2009
国/地域Korea, Republic of
CityPohang
Period09/6/2209/6/24

ASJC Scopus subject areas

  • 流体および伝熱
  • 機械工学

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