A multigrid method for N-component nucleation

作者:van Putten Dennis S*; Glazenborg Simon P; Hagmeijer Rob; Venner Cornelis H
来源:Journal of Chemical Physics, 2011, 135(1): 014114.
DOI:10.1063/1.3605658

摘要

A multigrid algorithm has been developed enabling more efficient solution of the cluster size distribution for N-component nucleation from the Becker-Doring equations. The theoretical derivation is valid for an arbitrary number of condensing components, making the simulation of many-component nucleating systems feasible. A steady state ternary nucleation problem is defined to demonstrate its efficiency. The results are used as a validation for existing nucleation theories. The non-steady state ternary problem provides useful insight into the initial stages of the nucleation process. We observe that for the ideal mixture the main nucleation flux bypasses the saddle point.

  • 出版日期2011-7-7