The temperature and size distribution of large water clusters from a non-equilibrium model

A hybrid Lagrangian-Eulerian approach is used to examine the properties of water clusters formed in neon-water vapor mixtures expanding through microscale conical nozzles. Experimental size distributions were reliably determined by the sodium doping technique in a molecular beam machine. The compari...

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Bibliographic Details
Published in:The Journal of chemical physics 2015-06, Vol.142 (24), p.244305-244305
Main Authors: Gimelshein, N, Gimelshein, S, Pradzynski, C C, Zeuch, T, Buck, U
Format: Article
Language:English
Subjects:
AGGLOMERATION
Clusters
COMPARATIVE EVALUATIONS
Computer simulation
Conical nozzles
CRYSTALLIZATION
DISTRIBUTION
EXPANSION
EXPERIMENTAL DATA
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
LAGRANGIAN FUNCTION
MIXTURES
MOLECULAR BEAMS
NEON
Nozzles
SIMULATION
Size distribution
SODIUM
Temperature profiles
WATER
WATER VAPOR
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Summary:A hybrid Lagrangian-Eulerian approach is used to examine the properties of water clusters formed in neon-water vapor mixtures expanding through microscale conical nozzles. Experimental size distributions were reliably determined by the sodium doping technique in a molecular beam machine. The comparison of computed size distributions and experimental data shows satisfactory agreement, especially for (H2O)n clusters with n larger than 50. Thus validated simulations provide size selected cluster temperature profiles in and outside the nozzle. This information is used for an in-depth analysis of the crystallization and water cluster aggregation dynamics of recently reported supersonic jet expansion experiments.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4922312