Department of Mechanical Engineering, University of Twente, Drienerlolaan 5, 7522 NB Enschede, The Netherlands.
J Chem Phys. 2011 Jul 7;135(1):014114. doi: 10.1063/1.3605658.
A multigrid algorithm has been developed enabling more efficient solution of the cluster size distribution for N-component nucleation from the Becker-Döring 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.
已经开发出一种多重网格算法，能够更有效地解决由 Becker-Döring 方程得出的 N 组分成核的聚团尺寸分布问题。该理论推导适用于任意数量的凝缩组分，从而使得多组分成核系统的模拟成为可能。定义了一个稳定态三元成核问题来证明其效率。结果被用作对现有成核理论的验证。非稳态三元问题为成核过程的初始阶段提供了有用的见解。我们观察到，对于理想混合物，主要成核通量绕过鞍点。
