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arXiv 0812.4386cond-mat.softcond-mat.stat-mech
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两相混合物中平界面局部平衡的数值解及验证

Numerical solution and verification of the local equilibrium for the flat interface in the two-phase binary mixture

K. S. Glavatskiy, D. Bedeaux

摘要:

在本文中,我们首先应用我们的第一篇论文中描述的一般分析环己烷和$n$ -己烷的二元混合物。我们使用的平方梯度模型的非平衡表面的连续描述,并获得在各种定态条件下的各种热力学量的数值剖面。在本文的第二部分中,我们集中在验证的局部平衡的表面所描述的过剩量。我们给出了表面的温度和化学电势差的定义,并验证了这些量是独立的划分表面的选择。我们验证了非平衡表面可以用吉布斯过剩密度来描述,这些密度在表面的温度和化学电势差下很好地近似等于它们的平衡值。

英文摘要:

In this paper we first apply the general analysis described in our first paper to a binary mixture of cyclohexane and $n$-hexane. We use the square gradient model for the continuous description of a non-equilibrium surface and obtain numerical profiles of various thermodynamic quantities in various stationary state conditions. In the second part of this paper we focus on the verification of local equilibrium of the surface as described with excess quantities. We give a definition of the temperature and chemical potential difference for the surface and verify that these quantities are independent of the choice of the dividing surface. We verify that the non-equilibrium surface can be described in terms of Gibbs excess densities which are in good approximation equal to their equilibrium values at the temperature and chemical potential difference of the surface.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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