具有不同种类的能量偏好最近邻的混合物中的关联函数：尺寸不对称情况
Correlation functions in mixtures with energetically favoured nearest-neighbours of different kind: a size-asymmetric case
摘要：
通过理论和蒙特卡罗模拟研究了不同直径硬球的二元混合物和不同粒子间的方阱吸引。在我们的介观理论中，考虑了两个组分的体积分数的局部波动。半定量的模拟和理论结果之间的协议，除了从很小的距离。关联函数呈现指数衰减振荡，振荡周期由相互作用势决定，振幅和关联长度均随直径比的增大而显著增大.增加尺寸不对称性也导致在较大粒子的吸引壳层中较小粒子的数量的波动减小。对于小尺寸的不对称性，最强的相关性发生的两个组件的体积分数相当。当粒径比增大时，结构因子的最大值向较大颗粒的体积分数方向移动，当粒径比为4时，结构因子的最大值超出了体积分数的可达范围。我们的研究结果表明，当不同粒子的邻域是积极的青睐，粒子是更均匀的分布比随机分布，即使在相对较高的温度，特别是对于大尺寸的不对称性。
英文摘要：
Binary mixtures of hard-spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the two components are taken into account. Semi-quantitative agreement between the simulation and theoretical results is obtained, except from very small distances. The correlation functions exhibit exponentially damped oscillations, with the period determined by the interaction potential, and both the amplitude and the correlation length increasing significantly with increasing diameter ratio. Increasing size asymmetry leads also to decreasing fluctuations of the number of the smaller particles in the attractive shell of the bigger ones. For small size asymmetry, the strongest correlations occur for comparable volume fraction of the two components. When the size ratio increases, the maximum of the structure factor moves to a larger volume fraction of the bigger particles, and for the size ratio as large as 4, the maximum goes beyond the accessible range of volume fractions. Our results show that when the neighbourhood of different particles is energetically favoured, the particles are much more uniformly distributed than in the random distribution even at relatively high temperature, especially for large size asymmetry.
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