Molecular Model for Prenucleation Water Clusters

Author

P. L. M. Plummer, Missouri University of Science and Technology
Barbara N. Hale, Missouri University of Science and TechnologyFollow

Abstract

A molecular model applicable to prenucleation water clusters is described. As an illustration the model is applied to water clusters having clathrate-like structures composed of five-menibered rings. This work was motivated by the apparent inadequacies of the corrected liquid drop model which (in addition to applying bulk properties to small clusters) predicts nucleation rates which may be as much as 10¹⁷ larger than experiment. We present the "energy of formation" at a temperature of 277°K for our molecular model for clusters ranging in size from 5 to 57 molecules. These results agree qualitatively with experiment and, we believe, provide a motivation for further development of the molecular approach.

Recommended Citation

P. L. Plummer and B. N. Hale, "Molecular Model for Prenucleation Water Clusters," Journal of Chemical Physics, vol. 56, no. 9, pp. 4329 - 4336, American Institute of Physics (AIP), May 1972.

The definitive version is available at https://doi.org/10.1063/1.1677867

Department(s)

Physics

International Standard Serial Number (ISSN)

0021-9606

Document Type

Article - Journal

Document Version

Final Version

File Type

text

Language(s)

English

Rights

© 1972 American Institute of Physics (AIP), All rights reserved.

Publication Date

01 May 1972