Archer A J, Evans R
H H Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Oct;64(4 Pt 1):041501. doi: 10.1103/PhysRevE.64.041501. Epub 2001 Sep 17.
Using a mean-field equation of state we calculate the density-concentration phase diagrams for a binary mixture of repulsive Gaussian core particles over a range of size ratios. A simple mean-field density functional (DFT) approach, equivalent to the random phase approximation, is used to calculate the surface tension and density profiles of the interface between the demixed fluid phases of the binary mixture. For certain coexisting states oscillations are found in the density profiles on both sides of the interface, i.e., approaching both bulk phases. The form of the oscillations is determined by the asymptotic decay of the bulk total pairwise correlations, and the onset of oscillations in the interfacial density profiles depends on the location of the crossover line (Fisher-Widom line) in the bulk phase diagram where the asymptotic decay changes from monotonic to damped oscillatory. For certain particle size ratios we find another crossover line that separates a region of the phase diagram where the longest-range decay of the pairwise correlations is damped oscillatory from a region where the longest-range decay is damped oscillatory but with a different wavelength. We argue that many of the predictions of the simple DFT approach should remain valid in more refined treatments.
我们使用平均场状态方程,计算了一系列尺寸比下排斥性高斯核粒子二元混合物的密度 - 浓度相图。采用一种简单的平均场密度泛函理论(DFT)方法,该方法等同于随机相位近似,用于计算二元混合物分离流体相界面的表面张力和密度分布。对于某些共存状态,在界面两侧的密度分布中发现了振荡,即靠近两个体相的区域。振荡的形式由体相总对关联的渐近衰减决定,界面密度分布中振荡的起始取决于体相相图中交叉线(费舍尔 - 威多姆线)的位置,在该位置渐近衰减从单调变为阻尼振荡。对于某些粒径比,我们发现了另一条交叉线,它将相图的一个区域与另一个区域分开,在前一个区域中对关联的最长程衰减是阻尼振荡,而在后一个区域中最长程衰减也是阻尼振荡,但波长不同。我们认为,在更精细的处理中,简单DFT方法的许多预测应该仍然有效。