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Theoretical Study on Aggregation of Nuclei-Containing Gas Phase

[+] Author Affiliations
Zhong Lan, Quan Xue, Xuehu Ma, Di Wang, Kejian Cao, Zongchang Zhao

Dalian University of Technology, Dalian, China

Paper No. HT2017-5056, pp. V002T12A002; 8 pages
  • ASME 2017 Heat Transfer Summer Conference
  • Volume 2: Heat Transfer Equipment; Heat Transfer in Multiphase Systems; Heat Transfer Under Extreme Conditions; Nanoscale Transport Phenomena; Theory and Fundamental Research in Heat Transfer; Thermophysical Properties; Transport Phenomena in Materials Processing and Manufacturing
  • Bellevue, Washington, USA, July 9–12, 2017
  • Conference Sponsors: Heat Transfer Division
  • ISBN: 978-0-7918-5789-2
  • Copyright © 2017 by ASME


Haze is a kind of typical heterogeneous nucleation phenomenon in gas phase condensation process. The existence of dust nucleus may induce water molecule aggregation among vapor phase under a certain humidity. In this article, we try to use Density Functional Theory simulation to explore the evolution mechanism of water molecule aggregation influenced by condensation nucleus from the perspective of molecules assembling. We can get the following results: the subcooling degree and physicochemical properties of nucleation center affect the hydrogen bond within the water clusters and the transformation energy barrier of water molecule aggregation tendency. Water vapor begins to heterogeneously condense or forms aggregation humidity in a certain condition based on the center of condensation nuclei. The analysis shows that the effect law of the degree and scale of aggregation or phase transition are influenced by the change of gas phase partial pressure, supersaturated degree along with particle properties. As the energy barrier of nucleation free energy decreases, the formation of water clusters will be easier.

Copyright © 2017 by ASME



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