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Effect of different monomer precursors with identical functionality on the properties of the polymer network
Communications Materials Pub Date : 2021-05-21 , DOI: 10.1038/s43246-021-00154-x
Ariana Torres-Knoop , Verena Schamboeck , Nitish Govindarajan , Pieter D. Iedema , Ivan Kryven

The association between thermo-mechanical properties in polymers and functionality of monomer precursors is frequently exploited in the materials science. However, it is not known if there are more variables beyond monomer functionality that have a similar link. Here, by using simulations to generate spatial networks from chemically different monomers with identical functionality we show that such networks have universal graph-theoretical properties as well as a near-universal elastic modulus. The vitrification temperature was found to be universal only up to a certain network density, as measured by the bond conversion. The latter observation is explained by the fact that monomer’s tendency to coil enhances formation of topological holes, which, when accumulated, amount to a percolating cell complex restricting network’s mobility. This higher-order percolation occurs late after gelation and is shown to coincide with the onset of brittleness, as indicated by a sudden increase in the glass transition temperature.



中文翻译:

具有相同功能的不同单体前体对聚合物网络性能的影响

材料科学中经常利用聚合物中的热机械性能与单体前体的功能之间的联系。但是,除了单体功能以外,是否还有其他具有相似联系的变量尚不清楚。在这里,通过使用模拟从具有相同功能的化学上不同的单体生成空间网络,我们证明了这种网络具有通用的图论性质以及几乎通用的弹性模量。发现玻璃化温度只有在达到一定的网络密度时才是通用的,如通过键转换测量的。后一种观察结果是由单体盘绕的趋势增强了拓扑孔的形成这一事实来解释的,当积累时,该孔等于限制了网络移动性的渗透性细胞复合物。

更新日期:2021-05-22
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