Department of Physics, Andong National University, Andong 760-749, South Korea.
J Chem Phys. 2010 Jan 14;132(2):024705. doi: 10.1063/1.3292003.
A density functional perturbative theory, which is based on both the modified fundamental measure theory for the spheres and the Wertheim's first-order perturbation theory for the chain connectivity, has been proposed for investigating the structure of the heteronuclear AB diblock copolymers. It has been applied for studying the adsorption of the heteronuclear AB diblock copolymers confined in the hard slit pores and the walls via the Lennard-Jones (3-9) potential. The theoretical calculation shows that the structure of the confined heteronuclear AB diblock copolymer are strongly affected by the size ratio of the beads composed of the block as well as the chain lengths of the blocks composed of the copolymer. The surface-binding potential, which has different affinity with regard to the walls, plays an important role for the structure and phase behaviors of the heteronuclear AB diblock copolymer such as the selective adsorption of the homogeneous AB diblock copolymer immersed in the solvent.
一种基于改进的硬球的基本测量理论和 Wertheim 第一链连接性的密度泛函微扰理论被用来研究杂核 AB 嵌段共聚物的结构。该理论被应用于研究通过 Lennard-Jones(3-9)势限制在硬缝孔和壁中的杂核 AB 嵌段共聚物的吸附。理论计算表明,受限杂核 AB 嵌段共聚物的结构强烈受到由嵌段组成的珠粒的尺寸比以及由共聚物组成的嵌段的链长的影响。具有不同壁亲和力的表面结合势对于杂核 AB 嵌段共聚物的结构和相行为起着重要作用,例如,在溶剂中浸泡的均相 AB 嵌段共聚物的选择性吸附。