Quantitative Adjustment to the Molecular Energy Parameter in the Lake–Thomas Theory of Polymer Fracture Energy
Quantitative Adjustment to the Molecular Energy Parameter in the Lake–Thomas Theory of Polymer Fracture Energy
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DOI：
10.1021/acs.macromol.8b02341
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发表时间：
2019-03
期刊：
影响因子：
5.5
通讯作者：
Shu Wang;Sergey Vladimir Panyukov;M. Rubinstein;S. Craig
中科院分区：
文献类型：
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作者：
Shu Wang;Sergey Vladimir Panyukov;M. Rubinstein;S. Craig
我们提出了一个概念框架，增加分子的细节链的延伸和力耦合键离解的湖-托马斯模型的撕裂能在橡胶裂纹扩展。从单分子力谱实验报告的数据提供了一个典型的烃聚合物的断裂时每个键的储存能量的估计值为1060 kJ mol-1，远低于这些系统中典型的碳-碳键解离能。提出了在实验系统中测试和利用分子延伸和共价键断裂作用的机会。
We present a conceptual framework for adding molecular details of chain extension and force-coupled bond dissociation to the Lake–Thomas model of tear energy in rubbery crack propagation. Incorporating data reported from single-molecule force spectroscopy experiments provides an estimate for the stored energy per bond at fracture of ∼60 kJ mol–1 for typical hydrocarbon polymers, well below the typical carbon–carbon bond dissociation energy in these systems. Opportunities to test and exploit the role of molecular extension and covalent bond scission in experimental systems are proposed.