棒状聚电解质在带相反电荷表面附近的行为。
Behavior of rodlike polyelectrolytes near an oppositely charged surface.
作者信息
Messina René
机构信息
Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
出版信息
J Chem Phys. 2006 Jan 7;124(1):14705. doi: 10.1063/1.2140692.
The behavior of highly charged short rodlike polyelectrolytes near oppositely charged planar surfaces is investigated by means of Monte Carlo simulations. A detailed microstructural study, including monomer and fluid charge distributions and chain orientation, is provided. The influence of chain length, substrate's surface-charge density, and image forces is considered. Due to the lower chain entropy (compared to flexible chains), our simulation data show that rodlike polyelectrolytes can, in general, better adsorb than flexible ones do. Nonetheless, at low substrate-dielectric constant, it is found that repulsive image forces tend to significantly reduce this discrepancy.
通过蒙特卡罗模拟研究了高电荷短棒状聚电解质在带相反电荷平面表面附近的行为。提供了详细的微观结构研究,包括单体和流体电荷分布以及链取向。考虑了链长、底物表面电荷密度和镜像力的影响。由于链熵较低(与柔性链相比),我们的模拟数据表明,棒状聚电解质通常比柔性聚电解质具有更好的吸附能力。然而,在低底物介电常数下,发现排斥性镜像力往往会显著减小这种差异。