Efficient approximation of the cluster size distribution in binary condensation

We propose a computationally efficient method for the calculation of the binary cluster size distribution. This method is based on the phase path analysis algorithm, which was originally derived for single-component condensation. We extend this method by constructing the binary general dynamic equat...

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Bibliographic Details
Published in:The Journal of chemical physics 2010-05, Vol.132 (18)
Main Authors: van Putten, Dennis S., Sidin, Ryan S. R., Hagmeijer, Rob
Format: Article
Language:English
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Summary:We propose a computationally efficient method for the calculation of the binary cluster size distribution. This method is based on the phase path analysis algorithm, which was originally derived for single-component condensation. We extend this method by constructing the binary general dynamic equation, which introduces clusters at a point in two component n1,n2-space. The location of this source point is determined by the Gibbs free energy of formation and the impingement rates of the two constituents. The resulting model describes the binary cluster size distribution along a line in n1,n2-space. The solution of the binary general dynamic equation is compared with the solution of formally exact binary Becker–Döring equations for a typical nucleation pulse experiment. The results show good agreement for the cluster composition and size and the integral properties of the size distribution.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3429881