Estimation of the Scaling of the Nucleation Time with Volume When the Nucleation Rate Does Not Exist
Estimation of the Scaling of the Nucleation Time with Volume When the Nucleation Rate Does Not Exist
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DOI：
10.1021/cg301849f
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发表时间：
2013-03-01
影响因子：
3.8
通讯作者：
Sear，Richard P.
中科院分区：
文献类型：
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作者：
Sear，Richard P.
最近的实验[Diao等人，J.Am化学。编号：2011133,3756。]和模拟结果[Sear，J.Phys.条件：Matt.201224,052205。]与热力学极限内的成核率不一致。这是有后果的，如果速率不在热力学极限内，成核时间不一定会超过系统大小。在这里，我展示了如何分析成核时间的数据，以测试是否存在定义明确的成核率。我还展示了如何估计成核时间与成核位点数的比例。预测表明，体系离热力学极限越远，成核时间随体系大小变化越快。为了做出这个预测，我使用了极值统计。我还展示了如何分析成核数据，以提取发生成核的表面中的非均质性信息。
Recent experimental [Diao et al.,J. Am. Chem. Soc.2011133, 3756.] and simulation results [Sear,J. Phys. Cond. Matt.201224, 052205.] are not consistent with a nucleation rate that is in the thermodynamic limit. This has consequences, if the rate is not in the thermodynamic limit, the time for nucleation will not necessarily scale as one over system size. Here, I show how to analyze data for nucleation times to test for the existence of a well-defined nucleation rate. I also show how to estimate the scaling of the nucleation time with the number of nucleation sites. The prediction is that the farther the system is from the thermodynamic limit, the more rapidly the nucleation time varies with system size. To make this prediction, I use extreme-value statistics. I also show how nucleation data can be analyzed to extract information on the heterogeneity in the surfaces on which nucleation is occurring.