Glagoleva Anna A, Yaroslavov Alexander A, Vasilevskaya Valentina V
A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow 119991, Russia.
Department of Chemistry, M.V. Lomonosov Moscow State University, 1-3 Leninskie Gory, Moscow 119991, Russia.
Polymers (Basel). 2023 Jun 28;15(13):2845. doi: 10.3390/polym15132845.
In the present work, by means of computer simulation, we studied the adsorption and diffusion of polyelectrolyte macromolecules on oppositely charged surfaces. We considered the surface coverage and the charge of the adsorbed layer depending on the ionization degree of the macromolecules and the charge of the surface and carried out a computer experiment on the polymer diffusion within the adsorbed layers, taking into account its strong dependency on the surface coverage and the macromolecular ionization degree. The different regimes were distinguished that provided maximal mobility of the polymer chains along with a high number of charged groups in the layer, which could be beneficial for the development of the functional coatings. The results were compared with those of previous experiments on the adsorption of polyelectrolyte layers that may be applied as biocidal renewable coatings that can reversibly desorb from the surface.
在本工作中，我们通过计算机模拟研究了聚电解质大分子在带相反电荷表面上的吸附和扩散。我们考虑了取决于大分子电离度和表面电荷的表面覆盖率及吸附层电荷，并针对吸附层内的聚合物扩散进行了计算机实验，同时考虑到其对表面覆盖率和大分子电离度的强烈依赖性。区分了不同的状态，这些状态能使聚合物链具有最大迁移率，同时层内有大量带电基团，这可能有利于功能性涂层的开发。我们将结果与先前关于聚电解质层吸附的实验结果进行了比较，这些聚电解质层可用作可从表面可逆解吸的杀菌可再生涂层。
