On the cluster compositions in the classical binary nucleation theory
On the cluster compositions in the classical binary nucleation theory
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经典二元成核理论中的团簇组成
DOI：
10.1063/1.465827
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发表时间：
1993
影响因子：
4.4
通讯作者：
P. Wagner
中科院分区：
文献类型：
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作者：
A. Laaksonen;M. Kulmala;P. Wagner
考虑了经典的二元成核理论。结果表明，由于吉布斯-迪昂方程和吉布斯吸附等温线，出现一个方程，它可以被用来与内部（散装）的摩尔分数和半径的临界集群的理论计算的总分子数的两个物种在集群。因此，确定关键簇的总体（平均）组成。此外，它是注意到，它是可能的，使用这个方程来确定内部（散装）摩尔分数的任何足够大的球形簇与已知的分子总数，这允许在经典成核理论的框架内的自由能表面的建设。然而，水-乙醇体系的数值计算结果在一些典型的实验条件下奇怪的预测。讨论了经典理论预言失败的可能原因。
The classical binary nucleation theory is considered. It is shown that as a consequence of the Gibbs–Duhem equation and the Gibbs adsorption isotherm, an equation emerges which can be used together with the interior (bulk) mole fraction and radius of the critical cluster given by the theory to calculate the total numbers of molecules of both species in the cluster. Accordingly the overall (average) composition of the critical cluster is determined. Furthermore, it is noted that it is possible to use this equation to determine the interior (bulk) mole fraction of any sufficiently large spherical cluster with known total numbers of molecules, which allows the construction of a free energy surface within the framework of the classical nucleation theory. However, numerical calculations for the water–ethanol system result in strange predictions at some typical experimental conditions. Possible reasons for the unsuccessful predictions by the classical theory are discussed.
K.Nishioka：“多组分系统中蒸气液相成核的热力学公式”J.Chem.Phys。
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