论文标题
隐藏在模型对电势中的粒径的非依赖性及其对物理吸附的影响
Non-additivities of the particle sizes hidden in model pair potentials and their effects on physical adsorptions
论文作者
论文摘要
重要的是要了解基板附近胶体颗粒的机制，以开发电池，异质催化剂，油漆和化妆品。对机制的了解对于胶体颗粒和蛋白质的结晶也很重要。在这项研究中，我们使用积分方程理论计算了胶体颗粒在平坦壁上的物理吸附，其中采用了大小的胶体颗粒。在计算系统中，电力双层电势被用作对电位。在某些情况下，从计算结果中发现，小颗粒更容易吸附。从asakura-oosawa理论的角度来看，结果是不寻常的：我们称之为“逆转现象”。然后，我们研究了逆转现象的机制。结果，发现反转现象起源于粒径的非依赖性。此外，我们发明了分析对电势中非增强性的方法。该方法将有助于检查各种模拟结果和力场的发展，以模拟胶体颗粒和蛋白质。
It is important to understand mechanism of colloidal particles assembly near a substrate for developments of batteries, heterogeneous catalysts, paints, and cosmetics. Knowledge of the mechanism is also important for crystallizations of the colloidal particles and proteins. In this study, we calculated the physical adsorption of colloidal particles on a flat wall by using the integral equation theory, wherein small and large colloidal particles were employed. In the calculation system, electric double layer potentials were used as the pair potentials. In some cases, it was found from the calculation results that the small particles are more easily adsorbed. The result is unusual from the viewpoint of the Asakura-Oosawa theory: we call it "reversal phenomenon". Then, we investigated mechanism of the reversal phenomenon. As a result, it was found that the inversion phenomenon originates from the non-additivities of the particle sizes. In addition, we invented the method to analyze the non-additivity in the pair potentials. The method will be useful for checks of various simulation results and developments of force fields for simulations of the colloidal particles and proteins.
