Early stage of critical clusters growth in phenomenological and molecular dynamics simulation models

Autor: M. Białoskórski, Jarosław Rybicki, Romuald Puzyrewski
Rok vydání: 2006
Předmět:
Zdroj: Atmospheric Research. 82:465-480
ISSN: 0169-8095
DOI: 10.1016/j.atmosres.2006.02.004
Popis: The growth of critical clusters is discussed in the paper according to the classical and molecular dynamics (MD) approaches. A new formula for molecule numbers in critical clusters has been derived within the framework of the classical approach. A set of equations controlling the early stage of growth in a neighborhood of a critical size is presented. As far as molecular dynamics simulation is concerned, a computational technique based on the DL_POLY code is described in brief. Computation results are presented concerning cluster formation of H 2 O vapor, distribution of clusters versus time, cluster growth and radial density distribution of isolated clusters. A comparison with the classical results is made for a case of dense vapor, where the mechanism of strong condensation is predominant. The Hertz–Knudsen formula seems to be verified by the molecular dynamics results.
Databáze: OpenAIRE