Development of homogeneous water condensation models using molecular dynamics

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

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

A condensation phenomenon in free expansion plumes has been observed and studied in the past several decades. To model homogeneous condensation of small, polar molecules produced in the combustion products of chemical propellants, such as water, accurate microscopic cluster models need to be developed. In this work, the molecular dynamics method is used to develop a model of water cluster sizes, cluster-monomer collisions, and sticking probabilities necessary for the study of water homogeneous condensation in a plume expanding to low pressure, space conditions. The molecular dynamics results are integrated into a direct-simulation Monte Carlo simulation and the simulated Rayleigh scattering intensities are compared with experimental data to test the models and direct-simulation Monte Carlo simulation results.

Original languageEnglish (US)
Pages (from-to)1241-1251
Number of pages11
JournalAIAA journal
Volume47
Issue number5
DOIs
StatePublished - May 1 2009

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Molecular dynamics
Condensation
Water
Rayleigh scattering
Propellants
Monomers
Molecules
Monte Carlo simulation

All Science Journal Classification (ASJC) codes

  • Aerospace Engineering

Cite this

Li, Z., Zhong, J., Levin, D. A., & Garrison, B. J. (2009). Development of homogeneous water condensation models using molecular dynamics. AIAA journal, 47(5), 1241-1251. https://doi.org/10.2514/1.40360
Li, Zheng ; Zhong, Jiaqiang ; Levin, Deborah A. ; Garrison, Barbara Jane. / Development of homogeneous water condensation models using molecular dynamics. In: AIAA journal. 2009 ; Vol. 47, No. 5. pp. 1241-1251.
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Li, Z, Zhong, J, Levin, DA & Garrison, BJ 2009, 'Development of homogeneous water condensation models using molecular dynamics', AIAA journal, vol. 47, no. 5, pp. 1241-1251. https://doi.org/10.2514/1.40360

Development of homogeneous water condensation models using molecular dynamics. / Li, Zheng; Zhong, Jiaqiang; Levin, Deborah A.; Garrison, Barbara Jane.

In: AIAA journal, Vol. 47, No. 5, 01.05.2009, p. 1241-1251.

Research output: Contribution to journalArticle

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