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

N Gimelshein; S Gimelshein; C C Pradzynski; T Zeuch; U Buck

doi:10.1063/1.4922312

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

J Chem Phys. 2015 Jun 28;142(24):244305. doi: 10.1063/1.4922312.

Authors

N Gimelshein¹, S Gimelshein², C C Pradzynski³, T Zeuch³, U Buck⁴

Affiliations

¹ Gimel, Inc., San Jose, California 95124, USA.
² University of Southern California, Los Angeles, California 90089, USA.
³ Institut für Physikalische Chemie, Universität Göttingen, Tammanstr. 6, D-37077 Göttingen, Germany.
⁴ Max-Planck-Institut für Dynamik und Selbstorganisation, Am Faßberg 17, D-37077 Göttingen, Germany.

PMID: 26133426
DOI: 10.1063/1.4922312

Abstract

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.