Viscosity of polyelectrolyte-grafted nanoparticle solutions,Soft Matter

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Viscosity of polyelectrolyte-grafted nanoparticle solutions
Soft Matter ( IF 2.9 ) Pub Date : 2021-2-8 , DOI: 10.1039/d0sm02142c
Koteswara Rao Medidhi _{1,

2,

3,

4} , Venkat Padmanabhan _{1,

2,

3,

4}

Affiliation

The effect of charges and hydrogen bonding on viscosity in solutions containing polyelectrolyte-grafted nanoparticles (PENP) has been investigated using molecular dynamics (MD) simulations. The electrostatic interaction between the charged monomers on the grafted chains, which increases with the degree of ionization, causes the grafted polymers to stretch and increases the hydrodynamic size of the nanoparticles. The viscosity of the solution is partially governed by the balance between the entanglement of grafted chains and the electrostatic repulsion. Moreover, the charge-assisted hydrogen bonds between the monomers of different particles further enhance the viscosity of the solution. For shorter grafted chains, a majority of hydrogen bonds are formed within the same particle and thus show no significant enhancement in viscosity. The addition of polymer chains with hydrogen bonding sites has been shown to bridge multiple nanoparticles, creating a network structure, that increases viscosity. The chain stiffness has been shown to have a direct correlation with bridging and thus the viscosity of the solution.

中文翻译：

聚电解质接枝纳米颗粒溶液的粘度

已使用分子动力学（MD）模拟研究了电荷和氢键对含有聚电解质接枝纳米颗粒（PENP）的溶液中粘度的影响。随着离子化程度的增加，接枝链上带电单体之间的静电相互作用会导致接枝聚合物拉伸并增加纳米颗粒的流体动力学尺寸。溶液的粘度部分取决于接枝链的缠结与静电排斥之间的平衡。此外，不同颗粒的单体之间的电荷辅助氢键进一步提高了溶液的粘度。对于较短的接枝链，大多数氢键在同一颗粒内形成，因此粘度没有显着提高。已经显示，具有氢键合位点的聚合物链的添加可以桥接多个纳米颗粒，从而形成网络结构，从而增加粘度。已经表明链刚度与桥联以及溶液的粘度具有直接相关性。

更新日期：2021-03-02

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