Mariya Silpa, Barr Jeremy J, Sunthar P, Prakash J Ravi
IITB-Monash Research Academy, Indian Institute of Technology Bombay, Mumbai, 400076, India.
School of Biological Sciences, Monash University, Clayton, VIC 3800, Australia.
Soft Matter. 2024 Jan 31;20(5):993-1008. doi: 10.1039/d3sm01190a.
The static and dynamic properties of dendrimers in semidilute solutions of linear chains of comparable size are investigated using Brownian dynamics simulations. The radius of gyration and diffusivity of a wide variety of low generation dendrimers and linear chains in solution follow universal scaling laws independent of their topology. Analysis of the shape functions and internal density of dendrimers shows that they are more spherical than linear chains and have a dense core. At intermediate times, dendrimers become subdiffusive, with an exponent higher than that previously reported for nanoparticles in semidilute polymer solutions. The long-time diffusivity of dendrimers does not follow theoretical predictions for nanoparticles. We propose a new scaling law for the long-time diffusion coefficients of dendrimers which accounts for the fact that, unlike nanoparticles, dendrimers shrink with an increase in background solution concentration. Analysis of the properties of a special case of a higher functionality dendrimer shows a transition from polymer-like to nanoparticle-like behaviour.
使用布朗动力学模拟研究了树枝状大分子在尺寸相当的线性链半稀溶液中的静态和动态性质。溶液中各种低代树枝状大分子和线性链的回转半径和扩散率遵循与它们的拓扑结构无关的通用标度律。对树枝状大分子的形状函数和内部密度的分析表明,它们比线性链更接近球形,并且有一个致密的核心。在中间时间,树枝状大分子变为亚扩散,其指数高于先前报道的半稀聚合物溶液中纳米颗粒的指数。树枝状大分子的长时间扩散率不遵循纳米颗粒的理论预测。我们提出了一种新的树枝状大分子长时间扩散系数的标度律,该标度律考虑了这样一个事实,即与纳米颗粒不同,树枝状大分子会随着背景溶液浓度的增加而收缩。对一种具有更高官能度树枝状大分子特殊情况的性质分析表明,其行为从类似聚合物转变为类似纳米颗粒。