Labík Stanislav, Kolafa Jirí
Department of Physical Chemistry, Institute of Chemical Technology, 166 28 Prague 6, Czech Republic.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Nov;80(5 Pt 1):051122. doi: 10.1103/PhysRevE.80.051122. Epub 2009 Nov 23.
A method of numerical calculation of the fourth virial coefficients of the mixture of additive hard spheres is proposed. The results are compared with an exact analytical formula for the fourth partial virial coefficient B4[1] (i.e., three spheres of diameters sigma1 and one sphere of diameter sigma2) and a semiempirical expression for B4[2] (i.e., two spheres of each kind). It is shown that the first formula is nonanalytic and the implication to the equations of state for hard-sphere mixtures is discussed.
提出了一种计算加和硬球混合物第四维里系数的数值计算方法。将结果与第四维里系数B4[1](即三个直径为sigma1的球体和一个直径为sigma2的球体)的精确解析公式以及B4[2](即每种球体各两个)的半经验表达式进行了比较。结果表明,第一个公式是非解析的,并讨论了其对硬球混合物状态方程的影响。