Institute of Theoretical Physics and Institut Romand de Recherche Numérique en Physique des Matériaux, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
J Phys Condens Matter. 2010 Mar 17;22(10):104113. doi: 10.1088/0953-8984/22/10/104113. Epub 2010 Feb 23.
We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced within the TPT approach. In a second step we use the capability of TPT to be straightforwardly extended to mixtures that are nonsymmetric in size. Starting from mixtures that belong to the different topologies of symmetric binary mixtures we investigate the effect on the phase behaviour when an asymmetry in the diameters of the two components is introduced. Interestingly, when the energy of interaction between unlike particles is weaker than the interaction between like particles, the propensity for the solution to demix is found to increase strongly with size asymmetry.
我们通过热力学摄动理论（TPT）研究了硬芯 Yukawa（HCY）粒子对称二元混合物的相行为。我们表明，在 TPT 方法中正确再现了报告的对称二元混合物的所有相图拓扑。在第二步中，我们利用 TPT 能够直接扩展到尺寸不对称的混合物的能力。从属于对称二元混合物不同拓扑的混合物开始，我们研究了当两个组件的直径存在不对称时对相行为的影响。有趣的是，当不同粒子之间的相互作用能量弱于相同粒子之间的相互作用能量时，发现溶液的离析倾向随着尺寸不对称性的增加而强烈增加。
