Bryk Paweł
Department for the Modeling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland.
J Chem Phys. 2005 Feb 8;122(6):064902. doi: 10.1063/1.1844331.
We study the structure and interfacial properties of model athermal mixtures of colloids and excluded volume polymers. The colloid particles are modeled as hard spheres whereas the polymer coils are modeled as chains formed from tangentially bonded hard spheres. Within the framework of the nonlocal density functional theory we study the influence of the chain length on the surface tension and the interfacial width. We find that the interfacial tension of the colloid-interacting polymer mixtures increases with the chain length and is significantly smaller than that of the ideal polymers. For certain parameters we find oscillations on the colloid-rich parts of the density profiles of both colloids and polymers with the oscillation period of the order of the colloid diameter. The interfacial width is few colloid diameters wide and also increases with the chain length. We find the interfacial width for the end segments to be larger than that for the middle segments and this effect is more pronounced for longer chains.
我们研究了胶体与排除体积聚合物的无热模型混合物的结构和界面性质。胶体颗粒被建模为硬球，而聚合物链被建模为由切向键合的硬球形成的链。在非局部密度泛函理论的框架内，我们研究了链长对表面张力和界面宽度的影响。我们发现，与胶体相互作用的聚合物混合物的界面张力随链长增加，且明显小于理想聚合物的界面张力。对于某些参数，我们在胶体和聚合物密度分布的富胶体部分发现了振荡，振荡周期约为胶体直径。界面宽度为几个胶体直径宽，并且也随链长增加。我们发现末端链段的界面宽度大于中间链段的界面宽度，并且对于较长的链，这种效应更明显。
