Microstructure and Mechanical Properties of Jammed Dispersion of Nanogels

IF 5.2 1区 化学 Q1 POLYMER SCIENCE Macromolecules Pub Date : 2025-01-24 DOI:10.1021/acs.macromol.4c02228
Chun Hsi, Bo-Sheng Lai, Heng-Kwong Tsao, Yu-Jane Sheng
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Abstract

This study employs dissipative particle dynamics simulations to investigate the equilibrium microstructure and mechanical properties of jammed nanogel dispersions in a good solvent. The nanogels, composed of cross-linked linear polymers, exhibit impenetrability. Significant changes in size (radius of gyration) and shape (asphericity parameter) occur beyond a critical concentration (e.g., 15 wt %), resulting in densely packed configurations. The coordination number increases with rising concentration and stabilizes at a constant (approximately 13) for a jammed structure. For the jammed dispersion (25 wt %), rheological measurements reveal shear-thinning behavior and the presence of a static yield stress. Furthermore, oscillatory tests confirm the dominance of the storage modulus, indicating solid-like behavior. According to the compressive test, the Young’s modulus increases with the nanogel concentration due to denser packing. Free relaxation tests show an elastic response for small strains but a plastic response for large strains. This comprehensive analysis elucidates the relationship between the microstructure of nanogel dispersions and their solid-like characteristics.

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纳米凝胶堵塞分散体的微观结构和力学性能
本研究采用耗散粒子动力学模拟研究了堵塞纳米凝胶分散体在良好溶剂中的平衡微观结构和力学性能。纳米凝胶由交联的线性聚合物组成,具有不可穿透性。尺寸(旋转半径)和形状(非球度参数)的显著变化超过临界浓度(例如,15wt %),导致密集堆积的配置。配位数随着浓度的增加而增加,对于堵塞结构,配位数稳定在一个常数(约为13)。对于堵塞分散(25wt %),流变学测量显示剪切变薄行为和静态屈服应力的存在。此外,振荡试验证实了存储模量的优势,表明固体状的行为。压缩试验结果表明,随着纳米凝胶浓度的增加,纳米凝胶的杨氏模量增大。自由松弛试验表明,小应变时弹性响应,大应变时塑性响应。这一综合分析阐明了纳米凝胶分散体的微观结构与其固体特性之间的关系。
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来源期刊
Macromolecules
Macromolecules 工程技术-高分子科学
CiteScore
9.30
自引率
16.40%
发文量
942
审稿时长
2 months
期刊介绍: Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.
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