Laktionov Mikhail Y, Zhulina Ekaterina B, Richter Ralf P, Borisov Oleg V
Petersburg National Research University of Information Technologies, Mechanics and Optics, 197101 St. Petersburg, Russia.
Institute of Macromolecular Compounds of the Russian Academy of Sciences, 199004 St. Petersburg, Russia.
Polymers (Basel). 2021 Nov 14;13(22):3929. doi: 10.3390/polym13223929.
To study conformational transition occuring upon inferior solvent strength in a brush formed by linear or dendritically branched macromolecules tethered to the inner surface of cylindrical or planar (slit-like) pore, a self-consistent field analytical approach is employed. Variations in the internal brush structure as a function of variable solvent strength and pore radius, and the onset of formation of a hollow channel in the pore center are analysed. The predictions of analytical theory are supported and complemented by numerical modelling by a self-consistent field Scheutjens-Fleer method. Scaling arguments are used to study microphase segregation under poor solvent conditions leading to formation of a laterally and longitudinally patterned structure in planar and cylindrical pores, respectively, and the effects of confinement on "octopus-like" clusters in the pores of different geometries.
为了研究由连接在圆柱形或平面（狭缝状）孔内表面的线性或树枝状支化大分子形成的刷在溶剂强度降低时发生的构象转变，采用了一种自洽场分析方法。分析了内部刷结构随可变溶剂强度和孔半径的变化，以及孔中心中空通道形成的起始情况。自洽场Scheutjens-Fleer方法的数值模拟支持并补充了分析理论的预测。使用标度论证来研究在不良溶剂条件下的微相分离，分别导致在平面和圆柱形孔中形成横向和纵向图案化结构，以及限制对不同几何形状孔中“章鱼状”簇的影响。
