Green-Kubo relations for dynamic interfacial excess properties

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• 作者：Leonard M.C. Sagis ^{Leonard.Sagis@wur.nl}
• 关键词：Surface shear viscosity ; Surface dilatational viscosity ; Surface thermal conductivity ; Surface diffusion coefficient ; Extended irreversible thermodynamics ; Fluctuations ; Green&ndash ; Kubo relations
• 刊名：Physica A
• 出版年：2012
• 出版时间：1 August, 2012
• 年：2012
• 卷：391
• 期：15
• 页码：3805-3815
• 全文大小：248 K

文摘

In this paper we analyze the fluctuations of the in-plane interfacial excess fluxes in multiphase systems, in the context of the extended irreversible thermodynamics formalism. We derive expressions for the time correlation functions of the surface extra stress tensor, the surface mass flux vector, and the surface energy flux vector, and use these expressions to derive Green-Kubo relations for the surface shear viscosity, the surface dilatational viscosity, the surface diffusion coefficient, and the surface thermal conductivity. These Green-Kubo relations can be used to compute these excess transport coefficients using for example molecular dynamics simulations.