Department of Physics, Complex Liquids Laboratory, National Central University, Chungli 320, Taiwan.
J Chem Phys. 2010 Jan 28;132(4):044905. doi: 10.1063/1.3298993.
The semigrand ensemble theory [H. N. W. Lekkerkerker, W. C. K. Poon, P. N. Pusey, A. Stroobants, and P. B. Warren, Europhys. Lett. 20, 559 (1992)] in conjunction with the fundamental measure density functional theory [V. B. Warshavsky and X. Song, Phys. Rev. E 69, 061113 (2004)] are used to construct the Helmholtz free energy densities of a mixture of uncharged colloidal hard spheres and colloidal rods in its solid and liquid phases. Given these free energy density functions, we apply the free energy density minimization method [G. F. Wang and S. K. Lai, Phys. Rev. E 70, 051402 (2004)] to crosshatch the system's regions of phases in coexistence. The calculated results show that the triangular area bounded by gas-liquid, gas-solid, and liquid-solid coexisting two phases which has been called the coexistence region of gas-liquid-solid corresponds in fact to sets of two phases in coexistence. The phase boundaries which define our calculated coexistence domains compare very well with previous theoretical calculations. The relevance of the phase-diagram domains to three phases in coexistence will be discussed.
半巨正则系综理论[H. N. W. Lekkerkerker、W. C. K. Poon、P. N. Pusey、A. Stroobants 和 P. B. Warren，欧洲物理杂志 E20，559（1992）]与基本测量密度泛函理论[V. B. Warshavsky 和 X. Song，物理评论 E69，061113（2004）]结合使用，构建了无电荷胶体硬球和胶体棒混合物在其固相与液相中的亥姆霍兹自由能密度。有了这些自由能密度函数，我们应用自由能密度最小化方法[G. F. Wang 和 S. K. Lai，物理评论 E70，051402（2004）]来交叉标记系统共存相的区域。计算结果表明，由气-液、气-固和液-固共存两相限定的三角形区域实际上对应于两组共存相。定义我们计算共存域的相界与之前的理论计算非常吻合。我们将讨论相图域与三相共存的相关性。
