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.
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ASME 2017 Heat Transfer Summer Conference
July 9–12, 2017
Bellevue, Washington, USA
Conference Sponsors:
- Heat Transfer Division
ISBN:
978-0-7918-5789-2
PROCEEDINGS PAPER
Theoretical Study on Aggregation of Nuclei-Containing Gas Phase
Zhong Lan,
Zhong Lan
Dalian University of Technology, Dalian, China
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Quan Xue,
Quan Xue
Dalian University of Technology, Dalian, China
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Xuehu Ma,
Xuehu Ma
Dalian University of Technology, Dalian, China
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Di Wang,
Di Wang
Dalian University of Technology, Dalian, China
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Kejian Cao,
Kejian Cao
Dalian University of Technology, Dalian, China
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Zongchang Zhao
Zongchang Zhao
Dalian University of Technology, Dalian, China
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Zhong Lan
Dalian University of Technology, Dalian, China
Quan Xue
Dalian University of Technology, Dalian, China
Xuehu Ma
Dalian University of Technology, Dalian, China
Di Wang
Dalian University of Technology, Dalian, China
Kejian Cao
Dalian University of Technology, Dalian, China
Zongchang Zhao
Dalian University of Technology, Dalian, China
Paper No:
HT2017-5056, V002T12A002; 8 pages
Published Online:
October 18, 2017
Citation
Lan, Z, Xue, Q, Ma, X, Wang, D, Cao, K, & Zhao, Z. "Theoretical Study on Aggregation of Nuclei-Containing Gas Phase." Proceedings of the 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. V002T12A002. ASME. https://doi.org/10.1115/HT2017-5056
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