Critical point for demixing of binary hard spheres

被引:7
|
作者
Kobayashi, Hideki [1 ]
Rohrbach, Paul B. [2 ]
Scheichl, Robert [3 ,4 ]
Wilding, Nigel B. [5 ]
Jack, Robert L. [1 ,2 ]
机构
[1] Univ Cambridge, Yusuf Hamied Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England
[2] Univ Cambridge, Ctr Math Sci, DAMTP, Wilberforce Rd, Cambridge CB3 0WA, England
[3] Heidelberg Univ, Inst Appl Math, INF 205, D-69120 Heidelberg, Germany
[4] Univ Bath, Dept Math Sci, Bath BA2 7AY, Avon, England
[5] Univ Bristol, HH Wills Phys Lab, Royal Ft, Bristol BS8 1TL, Avon, England
基金
英国工程与自然科学研究理事会;
关键词
EQUATION-OF-STATE; PHASE-BEHAVIOR; SEPARATION; MIXTURES; MODEL; FLUID; TRANSITION; SIMULATION; DIAGRAM;
D O I
10.1103/PhysRevE.104.044603
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We use a two-level simulation method to analyze the critical point associated with demixing of binary hard sphere mixtures. The method exploits an accurate coarse-grained model with two-and three-body effective interactions. Using this model within the two-level methodology allows computation of properties of the full (fine-grained) mixture. The critical point is located by computing the probability distribution for the number of large particles in the grand canonical ensemble and matching to the universal form for the 3D Ising universality class. The results have a strong and unexpected dependence on the size ratio between large and small particles, which is related to three-body effective interactions and the geometry of the underlying hard-sphere packings.
引用
收藏
页数:12
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