Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55128 Mainz, Germany.
J Chem Phys. 2013 Jan 14;138(2):024904. doi: 10.1063/1.4773470.
Homopolymer adsorption onto chemically structured periodic surfaces and its potential for pattern recognition is investigated using Monte Carlo simulations. To analyze the surface-induced selective adsorption on a fundamental geometric level polymer chains are represented by freely jointed chains with a fixed bond length whose monomers are attracted by the sites of regular lattice patterns. The structural properties of the adsorbed low-temperature state are comprehensively discussed for different lattices by looking at the radius of gyration and the inter bond angle distributions. These observables show a non-trivial dependence on the commensurability of characteristic lengths given by the lattice constant and by the bond length. Reasons for this behavior are given by exploiting geometric and entropic arguments. The findings are examined in the context of pattern recognition by polymer adsorption. Furthermore, the adsorption transition is discussed briefly. For certain incommensurable situations the adsorption occurs in two steps due to entropic restrictions.
采用 Monte Carlo 模拟研究了均聚物在化学结构周期性表面上的吸附及其在模式识别方面的潜在应用。为了从基本几何层面分析表面诱导的选择性吸附,我们使用自由连接链来表示聚合物链,该链具有固定的键长,其单体受到规则晶格图案的位点吸引。通过研究回转半径和键间角度分布,我们全面讨论了不同晶格中低温吸附态的结构特性。这些可观测量表现出与晶格常数和键长给出的特征长度的相容性的非平凡依赖性。通过利用几何和熵论据给出了这种行为的原因。在聚合物吸附的模式识别背景下检验了这些发现。此外,还简要讨论了吸附转变。由于熵限制,对于某些不可公度的情况,吸附会分两步进行。