Kim Soon-Chul, Suh Soong-Hyuck, Seong Baek-Seok
Department of Physics, Andong National University, Andong 760-749, Korea.
J Chem Phys. 2007 Sep 21;127(11):114903. doi: 10.1063/1.2776260.
A density functional theory based on the weighted density has been developed to investigate the depletion interactions between two colloids immersed in a bath of the binary polymer mixtures, where the colloids are modeled as hard spheres and the polymers as freely jointed tangent hard-sphere chain mixtures. The theoretical calculations for the depletion forces between two colloids induced by the polymer are in good agreement with the computer simulations. The effects of polymer packing fraction, degree of polymerization, polymer/polymer size ratio, colloid/polymer size ratio on the depletion interactions, and colloid-colloid second virial coefficient B2 due to polymer-mediated interactions have been studied. With increasing the polymer packing fraction, the depletion interaction becomes more long ranged and the attractive interaction near the colloid becomes deeper. The effect of degree polymerization shows that the long chain gives a more stable dispersion for colloids rather than the short chain. The strong effective colloid-colloid attraction appears for the large colloid/polymer and polymer/polymer size ratio. The location of maximum repulsion Rmax is found to appear Rmax approximately sigmac+Rg2 for the low polymer packing fraction and this is shifted to smaller separation Rmax approximately sigmac+sigmap2 with increasing the polymer packing fraction, where sigmap2 and Rg2 are the small-particle diameter and the radius of gyration of the polymer with the small-particle diameter, respectively.
基于加权密度的密度泛函理论已被开发出来,用于研究浸没在二元聚合物混合物浴中的两种胶体之间的排空相互作用,其中胶体被建模为硬球,聚合物被建模为自由连接的切向硬球链混合物。聚合物引起的两种胶体之间排空力的理论计算与计算机模拟结果吻合良好。研究了聚合物填充率、聚合度、聚合物/聚合物尺寸比、胶体/聚合物尺寸比对排空相互作用的影响,以及聚合物介导相互作用导致的胶体 - 胶体第二维里系数B2。随着聚合物填充率的增加,排空相互作用的范围变得更长,胶体附近的吸引相互作用变得更深。聚合度的影响表明,长链比短链能使胶体的分散更稳定。对于较大的胶体/聚合物和聚合物/聚合物尺寸比,会出现强烈的有效胶体 - 胶体吸引力。发现对于低聚合物填充率,最大排斥位置Rmax约为σc + Rg2,随着聚合物填充率的增加,该位置会移至较小的间距Rmax约为σc + σp2,其中σp2和Rg2分别是聚合物的小颗粒直径和具有小颗粒直径的聚合物的回转半径。