Baratlo M, Fazli H
Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, 45195, Zanjan, Iran.
Eur Phys J E Soft Matter. 2009 Jun;29(2):131-8. doi: 10.1140/epje/i2009-10458-x. Epub 2009 May 23.
Planar brushes formed by end-grafted semiflexible polyampholyte chains, each chain containing an equal number of positively and negatively charged monomers, are studied using molecular dynamics simulations. Keeping the length of the chains fixed, the dependences of the average brush thickness and equilibrium statistics of the brush conformations on the grafting density and the salt concentration are obtained with various sequences of charged monomers. When similarly charged monomers of the chains are arranged in longer blocks, the average brush thickness is smaller and the dependence of brush properties on the grafting density and the salt concentration is stronger. With such long blocks of similarly charged monomers, the anchored chains bond to each other in the vicinity of the grafting surface at low grafting densities and buckle toward the grafting surface at high grafting densities.
通过分子动力学模拟研究了由末端接枝的半柔性聚两性电解质链形成的平面刷，每条链包含数量相等的带正电和带负电的单体。在保持链长固定的情况下，通过不同的带电单体序列，得到了平均刷厚度和刷构象的平衡统计量对接枝密度和盐浓度的依赖性。当链中带相同电荷的单体排列成更长的嵌段时，平均刷厚度更小，并且刷性质对接枝密度和盐浓度的依赖性更强。对于这种带相同电荷单体的长嵌段，在低接枝密度下，锚定链在接枝表面附近相互结合，而在高接枝密度下则向接枝表面弯曲。
