Conformational switching of modified guest chains in polymer brushes

被引:20
|
作者
Romeis, D. [1 ,2 ]
Sommer, J. -U. [1 ,2 ]
机构
[1] Leibniz Inst Polymer Res Dresden, D-01069 Dresden, Germany
[2] Tech Univ Dresden, Inst Theoret Phys, D-01069 Dresden, Germany
来源
JOURNAL OF CHEMICAL PHYSICS | 2013年 / 139卷 / 04期
关键词
EQUATION-OF-STATE; HARD-SPHERE CHAINS; SURFACE; ADSORPTION; DYNAMICS; LAYERS; MONOLAYERS; MOLECULES; COLLAPSE; MODEL;
D O I
10.1063/1.4816125
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using a numerical quasi off-lattice self-consistent field method which describes heterogeneous chains of spherical monomers we study the case of a densely grafted polymer brush with a fraction of free chain ends being replaced by a modified end-group differing in size and solvent selectivity. We can confirm the observation from molecular dynamics simulations that upon changing the solvent conditions, a switching in location of end-groups which are bigger than monomers from a state "exposed" to the solvent (on the top of the brush) to a "hidden" state (inside the brush) takes place. Our numerical method allows a detailed study of the switching effect as a function of the relevant parameters, such as grafting density, chain length, size of end-groups and their volume fraction. We find that the switching effect is enhanced for long chains, low fractions of modified chains, and big end-groups. We consider the case of low fraction of modified chains in more detail using a test chain method. Here, we explore the optimal grafting density as a function of the size of the end-groups, where the switching is most sensitive. These values can be in the experimental range for end-groups which are at least 3-4 times bigger than the monomers. The end-groups can be realized by attaching nano-particles to the last monomer of a brush-chain. (C) 2013 AIP Publishing LLC.
引用
收藏
页数:11
相关论文
共 50 条
  • [1] Height Switching in Mixed Polymer Brushes with Polymers of Different Stiffnesses
    Yang, Xiao
    Huang, Jian-Hua
    Mikhailov, Ivan, V
    Polotsky, Alexey A.
    Luo, Meng-Bo
    MACROMOLECULES, 2020, 53 (17) : 7369 - 7379
  • [2] Monte Carlo simulation on the adsorption of polymer chains on polymer brushes
    Wang Chao
    Zhou Yan-Li
    Wu Fan
    Chen Ying-Cai
    ACTA PHYSICA SINICA, 2020, 69 (16)
  • [3] Real-time observation of conformational switching in single conjugated polymer chains
    Tenopala-Carmona, Francisco
    Fronk, Stephanie
    Bazan, Guillermo C.
    Samuel, Ifor D. W.
    Penedo, J. Carlos
    SCIENCE ADVANCES, 2018, 4 (02):
  • [4] Anisotropic electrokinetic transport in channels modified with patterned polymer brushes
    Cao, Qianqian
    SOFT MATTER, 2019, 15 (20) : 4132 - 4145
  • [5] Chains Stiffness Effect on the Vertical Segregation of Mixed Polymer Brushes in Selective Solvent
    Lukiev, Ivan V.
    Mogelnitskaya, Yana A.
    Mikhailov, Ivan V.
    Darinskii, Anatoly A.
    POLYMERS, 2023, 15 (03)
  • [6] Effect of Molecular Architecture on Conformational Relaxation of Polymer Chains at Interfaces
    Nguyen, Hung K.
    Kawaguchi, Daisuke
    Tanaka, Keiji
    MACROMOLECULAR RAPID COMMUNICATIONS, 2020, 41 (21)
  • [7] Conformational Effects on Excitation Transport along Conjugated Polymer Chains
    Van Averbeke, Bernard
    Beljonne, David
    JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (12): : 2677 - 2682
  • [8] Height-Switching Dynamics of Mixed Polymer Brushes with Polymers of Different Stiffnesses
    Yang, Xiao
    Qi, Hang-Kai
    Yang, Qing-Hui
    Wang, Chao
    Luo, Meng-Bo
    LANGMUIR, 2023, 39 (13) : 4847 - 4854
  • [9] Light-Gated Control of Conformational Changes in Polymer Brushes
    Bialas, Sabrina
    Krappitz, Tim
    Walden, Sarah L.
    Kalayci, Kubra
    Kodura, Daniel
    Frisch, Hendrik
    MacLeod, Jennifer M.
    Nelson, Andrew
    Michalek, Lukas
    Barner-Kowollik, Christopher
    ADVANCED MATERIALS TECHNOLOGIES, 2022, 7 (04)
  • [10] Distribution of Chains in Polymer Brushes Produced by a "Grafting From" Mechanism
    Martinez, Andre P.
    Carrillo, Jan-Michael Y.
    Dobrynin, Andrey V.
    Adamsont, Douglas H.
    MACROMOLECULES, 2016, 49 (02) : 547 - 553