PERCOLATION TRANSITION IN THE PARALLEL HARD-CUBE MODEL FLUID

被引:14
作者
van Swol, Frank [1 ]
Woodcock, Leslie V. [2 ]
机构
[1] Cornell Univ, Sch Chem Engn, Ithaca, NY 14853 USA
[2] Univ Bradford, Sch Studies Chem Engn, Bradford BD7 1DP, W Yorkshire, England
关键词
Hard-cube; fluid; percolation; virial series; equations of state; diffusion;
D O I
10.1080/08927028708080934
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Pressure and self-diffusion calculations for a model fluid system of parallel hard cubes are reported. When viewed alongside equations of state incorporating the known coefficients in the virial expansion (b(2) to b(7)), a weak phase change is postulated around 1/4 close-packing. Changes in behaviour are also seen at the same density for the self-diffusion coefficient and an associated single-particle free volume. It is conjectured that a transition may be identifiable with the low-density percolation transition that occurs in all hard-core fluids when the single particle configurational volume becomes extensive. If the hard-sphere model were to behave similarly, the observations may have implications for the general development of liquid-state theory.
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页码:95 / 108
页数:14
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