Molecular simulation of networks formed by end-linking of tetra-arm star polymers: Effects of network structures on mechanical properties
Molecular simulation of networks formed by end-linking of tetra-arm star polymers: Effects of network structures on mechanical properties
复制标题
四臂星形聚合物末端连接形成的网络的分子模拟：网络结构对机械性能的影响
DOI：
10.1016/j.polymer.2020.122195
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发表时间：
2020
期刊：
影响因子：
4.6
通讯作者：
Tsuyoshi Koga
中科院分区：
文献类型：
--
作者：
Tsutomu Furuya;Tsuyoshi Koga
采用粗粒化分子动力学模拟方法研究了两种四臂星星型聚合物的端基连接网络结构和力学性能。弹性有效链的形成效率通过在制备阶段增加臂的长度和星星聚合物的体积分数来提高。当单轴伸长被施加到网络中的准备状态，剪切模量是成比例的弹性有效链的数量密度，并表示之间的幻影和仿射网络模型的中间值。在平衡溶胀状态下，在高体积分数下制备的网络的剪切模量被捕获的缠结显着增强。由四臂星星聚合物形成的网络显示出比由遥爪功能聚合物和交联剂组成的网络更高的弹性有效链的数密度。
The structures and the mechanical properties of networks formed by end-linking of two types of tetra-arm star polymers are studied by a coarse-grained molecular dynamics simulation. The formation efficiency of elastically effective chains is improved by increasing the length of the arms and the volume fraction of the star polymers at the preparation stage. When the uniaxial elongation is applied to the networks in the as-prepared state, the shear modulus is proportional to the number density of the elastically effective chains and indicates an intermediate value between the phantom and affine network models. In the equilibrium swollen state, the shear moduli of the networks prepared at high volume fractions are significantly enhanced by trapped entanglements. The networks formed from the tetra-arm star polymers show higher number densities of the elastically effective chains than networks consisting of telechelic functional polymers and cross-linkers.