Kinetic nucleation model for free-expanding water condensation plume simulations

Zheng Li, Jiaqiang Zhong, Deborah A. Levin, Barbara Jane Garrison

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

The direct simulationMonte Carlo (DSMC), a kinetic method, was recently expanded to include the simulation of homogeneous condensation in the free expansion of water plumes and the results show that the nucleation rate is a key factor to accurately modeling of condensation phenomenon. In this work, we performed MD simulations of a free expansion to explore the microscopic mechanisms of water dimer formation and the bimolecular formation was found to be the main mechanism. The bimolecular dimer formation probabilities through collision between two water molecules for different collision energies were obtained by MD simulations and found to decrease with collision energy. The formation probabilities and post-collisional velocity and energy distributions were then integrated into DSMC simulations of a free expansion of an orifice condensation plume with different chamber stagnation temperatures. The dimer mole fraction increases with distance from the orifice and becomes constant after a distance of about two orifice diameters. The terminal dimer mole fraction was found to decrease with chamber stagnation temperatures but higher than experimentally observed.

Original languageEnglish (US)
Title of host publication40th AIAA Thermophysics Conference
StatePublished - Dec 1 2008
Event40th AIAA Thermophysics Conference - Seattle, WA, United States
Duration: Jun 23 2008Jun 26 2008

Publication series

Name40th AIAA Thermophysics Conference

Other

Other40th AIAA Thermophysics Conference
CountryUnited States
CitySeattle, WA
Period6/23/086/26/08

Fingerprint

Dimers
plumes
Condensation
orifices
Nucleation
condensation
Orifices
dimers
stagnation temperature
nucleation
Kinetics
kinetics
water
collisions
expansion
Water
simulation
chambers
energy distribution
velocity distribution

All Science Journal Classification (ASJC) codes

  • Aerospace Engineering
  • Mechanical Engineering
  • Condensed Matter Physics

Cite this

Li, Z., Zhong, J., Levin, D. A., & Garrison, B. J. (2008). Kinetic nucleation model for free-expanding water condensation plume simulations. In 40th AIAA Thermophysics Conference [2008-4420] (40th AIAA Thermophysics Conference).
Li, Zheng ; Zhong, Jiaqiang ; Levin, Deborah A. ; Garrison, Barbara Jane. / Kinetic nucleation model for free-expanding water condensation plume simulations. 40th AIAA Thermophysics Conference. 2008. (40th AIAA Thermophysics Conference).
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abstract = "The direct simulationMonte Carlo (DSMC), a kinetic method, was recently expanded to include the simulation of homogeneous condensation in the free expansion of water plumes and the results show that the nucleation rate is a key factor to accurately modeling of condensation phenomenon. In this work, we performed MD simulations of a free expansion to explore the microscopic mechanisms of water dimer formation and the bimolecular formation was found to be the main mechanism. The bimolecular dimer formation probabilities through collision between two water molecules for different collision energies were obtained by MD simulations and found to decrease with collision energy. The formation probabilities and post-collisional velocity and energy distributions were then integrated into DSMC simulations of a free expansion of an orifice condensation plume with different chamber stagnation temperatures. The dimer mole fraction increases with distance from the orifice and becomes constant after a distance of about two orifice diameters. The terminal dimer mole fraction was found to decrease with chamber stagnation temperatures but higher than experimentally observed.",
author = "Zheng Li and Jiaqiang Zhong and Levin, {Deborah A.} and Garrison, {Barbara Jane}",
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Li, Z, Zhong, J, Levin, DA & Garrison, BJ 2008, Kinetic nucleation model for free-expanding water condensation plume simulations. in 40th AIAA Thermophysics Conference., 2008-4420, 40th AIAA Thermophysics Conference, 40th AIAA Thermophysics Conference, Seattle, WA, United States, 6/23/08.

Kinetic nucleation model for free-expanding water condensation plume simulations. / Li, Zheng; Zhong, Jiaqiang; Levin, Deborah A.; Garrison, Barbara Jane.

40th AIAA Thermophysics Conference. 2008. 2008-4420 (40th AIAA Thermophysics Conference).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Li Z, Zhong J, Levin DA, Garrison BJ. Kinetic nucleation model for free-expanding water condensation plume simulations. In 40th AIAA Thermophysics Conference. 2008. 2008-4420. (40th AIAA Thermophysics Conference).