Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany.
J Phys Condens Matter. 2011 Oct 19;23(41):415101. doi: 10.1088/0953-8984/23/41/415101. Epub 2011 Sep 26.
Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data.
基于基础测量理论，构建了一个具有通用非加和相互作用距离的硬球三组分混合物的亥姆霍兹自由能密度泛函。该泛函构成了先前给出的二元非加混合物理论的推广。两个泛函中空间积分的图式结构均具有星形（或树状）拓扑结构。三元图比二元图具有更高的复杂性。通过从超额自由能泛函的二阶导数获得的奥恩斯坦-泽尔尼克途径，得到的部分对关联函数的结果与蒙特卡罗模拟数据吻合良好。
