Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, USA.
J Chem Phys. 2011 Jul 28;135(4):044514. doi: 10.1063/1.3615723.
The dipolar hard sphere fluid is a useful model for a polar fluid. Some years ago, the second virial coefficient, B(2), of this fluid was obtained as a series expansion in the inverse temperature or (dipole strength) by Keesom. Little work on this problem seems to have been done since that time. Using a result of Chan and Henderson for the spherical average of the Boltzmann factor of this fluid, more complete results are obtained for B(2). The more complete results are more negative than the Keesom series, as one would expect, but his expansion is remarkably accurate. This method can be used to obtain the second virial coefficient of the dipolar Lennard-Jones (Stockmayer) or dipolar Yukawa fluids.
偶极硬球流体是一种有用的极性流体模型。几年前，Keesom 以温度的倒数（或偶极强度）的级数展开形式得到了这种流体的第二维里系数 B(2)。此后，关于这个问题的研究似乎很少。利用 Chan 和 Henderson 关于这种流体的 Boltzmann 因子的球平均的一个结果，得到了更完整的 B(2)结果。正如人们所预期的那样，更完整的结果比 Keesom 级数更负，但他的展开式非常精确。这种方法可用于获得偶极 Lennard-Jones（Stockmayer）或偶极 Yukawa 流体的第二维里系数。
