Accelerated Nucleation Due to Trace Additives: A Fluctuating Coverage Model

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• 作者：Geoffrey G. Poon ; Baron Peters
• 刊名：Journal of Physical Chemistry B
• 出版年：2016
• 出版时间：March 3, 2016
• 年：2016
• 卷：120
• 期：8
• 页码：1679-1684
• 全文大小：386K
• ISSN：1520-5207

文摘

We develop a theory to account for variable coverage of trace additives that lower the interfacial free energy for nucleation. The free energy landscape is based on classical nucleation theory and a statistical mechanical model for Langmuir adsorption. Dynamics are modeled by diffusion-controlled attachment and detachment of solutes and adsorbing additives. We compare the mechanism and kinetics from a mean-field model, a projection of the dynamics and free energy surface onto nucleus size, and a full two-dimensional calculation using Kramers–Langer–Berezhkovskii–Szabo theory. The fluctuating coverage model predicts rates more accurately than mean-field models of the same process primarily because it more accurately estimates the potential of mean force along the size coordinate.