A Loop-Opening Model for the Intrinsic Fracture Energy of Polymer Networks

IF 5.1 1区 化学 Q1 POLYMER SCIENCE Macromolecules Pub Date : 2024-06-15 DOI:10.1021/acs.macromol.4c00308
Shu Wang, Chase M. Hartquist, Bolei Deng and Xuanhe Zhao*, 
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Abstract

We present a loop-opening model that accounts for the molecular details of the intrinsic fracture energy for fracturing polymer networks. This model includes not only the energy released from the scission of bridging chains but also the subsequent energy released from the network continuum. Scission of a bridging chain releases the cross-links and opens the corresponding topological loop. The released cross-links will be caught by the opened loop to reach a new force-balanced state. The amount of energy released from the network continuum is limited by the stretchability of the opened loop. Based on this loop-opening process, we suggest that the intrinsic fracture energy per broken chain approximately scales with the product of the fracture force and the contour length of the opened loop. This model predicts an intrinsic fracture energy that aligns well with various experimental data on the fracture of polymer networks.

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聚合物网络内在断裂能的开环模型
我们提出了一种开环模型,该模型考虑了聚合物网络断裂时内在断裂能的分子细节。该模型不仅包括桥链断裂释放的能量,还包括网络连续体随后释放的能量。桥链的断裂会释放交联并打开相应的拓扑环路。释放的交联将被打开的环路捕获,从而达到新的力平衡状态。网络连续体释放的能量受制于打开环路的伸展性。根据这一开环过程,我们认为每条断裂链的内在断裂能大约与断裂力和开环轮廓长度的乘积成比例。该模型预测的固有断裂能与聚合物网络断裂的各种实验数据十分吻合。
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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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