论文标题
具有相同功能的不同单体前体对聚合物网络属性的影响
Effect of different monomer precursors with identical functionality on the properties of the polymer network
论文作者
论文摘要
聚合物网络的热机械特性取决于单体前体的功能 - 这种关联在材料科学中经常被利用。我们使用分子模拟从具有相同功能的化学不同单体产生空间网络，并表明此类网络具有多种通用的图形理论特性以及接近通用Young的模量。如键转换所测量的，玻璃化温度仅是通用网络密度的通用温度。后一个观察结果是通过以下事实来解释的：单体的线圈趋势增强了拓扑孔的形成，拓扑孔的形成在网络中积累时，相当于渗透细胞复合物限制了网络的迁移率。这种高阶渗透发生在凝胶化后后期发生，并且显示出与勃彩的发作相吻合，这表明玻璃过渡温度突然升高。这种现象可能表示聚合物材料中一种新型的相变。
Thermo-mechanical properties of polymer networks depend on functionality of the monomer precursors -- an association that is frequently exploited in materials science. We use molecular simulations to generate spatial networks from chemically different monomers with identical functionality and show that such networks have several universal graph-theoretical properties as well as near universal Young's modulus. The vitrification temperature is shown to be universal only up to a certain density of the network, 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 in the network, 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. This phenomenon may signify a new type of phase transition in polymer materials.
