How to estimate the surface coverage of polymer grafted planar substrates and spherical nanoparticles

IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL Soft Matter Pub Date : 2025-03-24 DOI:10.1039/D5SM00005J
Cheng-Wu Li, Holger Merlitz and Jens-Uwe Sommer
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Abstract

Surface coverage is an important parameter in describing the kinetics of adsorption in interface science, the adsorption theory of macromolecules (e.g., proteins, DNA) on biomaterial surface, the stability of colloids with surface modifications and the application of surfactants at interfaces. In this work, we focus on nanoparticles (NPs) with polymer coatings and, with a mean-field approach, propose a universal theoretical model for calculating the coverage of polymers on planar or spherical substrates at different solvent qualities. Validated by molecular dynamics simulations, our model is applicable to a wide range of polymer morphologies – from partially occluded to completely covered NPs – and provides a novel quantitative approach to characterize this type of polymer patchy particles.

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如何估计聚合物接枝的平面基底和球形纳米颗粒的表面覆盖率。
表面覆盖度是描述界面科学中吸附动力学、高分子(如蛋白质、DNA)在生物材料表面的吸附理论、表面修饰胶体的稳定性以及表面活性剂在界面上的应用等方面的重要参数。在这项工作中,我们将重点放在具有聚合物涂层的纳米颗粒(NPs)上,并通过平均场方法提出了一个通用的理论模型,用于计算不同溶剂质量下聚合物在平面或球形基材上的覆盖率。通过分子动力学模拟验证,我们的模型适用于广泛的聚合物形态-从部分遮挡到完全覆盖的np -并提供了一种新的定量方法来表征这种类型的聚合物斑块颗粒。
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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Soft Matter is an international journal published by the Royal Society of Chemistry using Engineering-Materials Science: A Synthesis as its research focus. It publishes original research articles, review articles, and synthesis articles related to this field, reporting the latest discoveries in the relevant theoretical, practical, and applied disciplines in a timely manner, and aims to promote the rapid exchange of scientific information in this subject area. The journal is an open access journal. The journal is an open access journal and has not been placed on the alert list in the last three years.
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