van Putten Dennis S, Kalikmanov Vitaly I
Twister Supersonic Gas Solutions, Einsteinlaan 10, 2289 CC, Rijswijk, The Netherlands.
J Chem Phys. 2009 Apr 28;130(16):164508. doi: 10.1063/1.3120489.
A new model describing the evolution of clusters in the processes of nucleation and growth is proposed. The diffusion flux in the nonstationary Fokker-Planck equation with an unknown distribution function is approximated by the closed form expression containing the steady-state solution of the Zeldovich-Frenkel equation. This is justified due to the smallness of induction time of cluster formation compared to the time scale observed in experiments. The resulting stationary diffusion flux model is valid for all cluster sizes, computationally efficient and applicable to various types of cluster formation processes. Its application to a nucleation pulse experiment shows an excellent agreement with the solution of the set of formally exact Becker-Doring equations.
提出了一种描述成核和生长过程中团簇演化的新模型。具有未知分布函数的非定常福克 - 普朗克方程中的扩散通量，由包含泽尔多维奇 - 弗伦克尔方程稳态解的封闭形式表达式近似。由于与实验中观察到的时间尺度相比，团簇形成的诱导时间较短，所以这样做是合理的。由此得到的稳态扩散通量模型对所有团簇尺寸均有效，计算效率高，适用于各种类型的团簇形成过程。将其应用于成核脉冲实验，结果与一组形式上精确的贝克尔 - 多林方程的解非常吻合。
