Millán-Malo B, Bryk P, Duda Y, Pizio O
Instituto de Física de la, UNAM, Circuito Exterior, Coyoacán, 04511, México D.F.
J Colloid Interface Sci. 1998 Aug 1;204(1):112-8. doi: 10.1006/jcis.1998.5532.
We have considered a simple two-dimensional model for a system consisting of a two-component mixture of hard discs on one side of a microporous slit-like semipermeable membrane and one-component fluid of discs on the other side. The particles of a slit-like membrane are fixed according to either (11) or (10) crystal symmetry. The distance between these particles is chosen such that only one fluid component can permeate the membrane. Osmotic equilibrium in the system is then established. The entire system is confined, for technical convenience, to a wide slit-like pore with the membrane in the center. The walls of the wide pore are distanced from the external surfaces of the membrane to provide the bulk region where the density profiles appear to be constant. Monte Carlo canonical simulation results are presented for the density distributions of the fluid particles in the entire wide pore. We have observed that partitioning of the smaller particles essentially depends on the concentration of the larger particles on one side of the membrane. The osmotic pressure is calculated from the contact values of the density profiles on the walls of a wide pore using the contact theorem. The pressure also has been obtained via Boublik's equation of state for a mixture of hard discs using the bulk densities of species obtained from simulations. The values for the partition coefficients on the osmotic pressure are discussed. Copyright 1998 Academic Press.
我们考虑了一个简单的二维模型，该系统由微孔狭缝状半透膜一侧的硬圆盘双组分混合物和另一侧的单组分圆盘流体组成。狭缝状膜的粒子根据（11）或（10）晶体对称性固定。这些粒子之间的距离选择成使得只有一种流体组分能够渗透膜。然后建立系统中的渗透平衡。为方便技术操作，整个系统被限制在一个宽的狭缝状孔隙中，膜位于中心。宽孔隙的壁与膜的外表面有一定距离，以提供密度分布似乎恒定的主体区域。给出了整个宽孔隙中流体粒子密度分布的蒙特卡罗正则模拟结果。我们观察到较小粒子的分配基本上取决于膜一侧较大粒子的浓度。使用接触定理从宽孔隙壁上密度分布的接触值计算渗透压。还通过使用从模拟获得的物种体密度，根据硬圆盘混合物的布布利克状态方程获得了压力。讨论了渗透压的分配系数值。版权所有1998年学术出版社。
