双网络水凝胶的机械性能研究
Research of Study on Mechanical Properties of Dual Network Hydrogels
摘要: 本文在分子动力学和蒙特卡洛模拟的分子模拟基础上，利用PEO SN和PAA SN两种单网络水凝胶聚合成PEO-PAA DN水凝胶进行水凝胶的性能研究。通过给出机械性能评估模型，利用单轴模拟拉伸的方法将DN水凝胶沿 轴拉伸，绘制了DN水凝胶的应力应变曲线，发现应变大于100%时，DN水凝胶的应力开始发生突变，同时模拟得出两种SN水凝胶网络呈现协同效应。为了进一步探究这一现象，从能量的角度分析，发现PEO-PAA DN水凝胶应力变化的主要原因在于键拉伸能和角弯曲能这两个因素。此外，分子量较小的PEO网络在DN水凝胶中以100%应变就可以达到了完全伸展，即分子量值较小的组分对DN水凝胶的机械强度起主导作用。因此，综上所述可以通过控制每层网络的分子量来提高双网络水凝胶的机械强度。
Abstract: In this paper, the PEO-PAA DN hydrogels polymerized by the two single network hydrogels PEO SN and PAA SN are discussed for hydrogel performance, based on molecular dynamics and monte carlo simulated molecular simulation. First of all, the mechanical performance evaluation model is provided. According to uniaxial simulated tensile method, the stress-strain curves of DN hydrogels are drawn by stretching the DN hydrogel along the   axis. In addition, it is found that the stress of DN hydrogel begins to change when the strain is greater than 100%. In the same time, a synergistic effect of two SN hydrogel networks is obtained. Furthermore, to further explore this phenomenon, it is researched that the main reasons for the change of stress in PEO-PAA DN hydrogels are bond stretching energy and angular bending energy from the point of view of energy. And the PEO network with smaller molecular weight can reach full extension at 100% strain in DN hydrogels. In other words, the components with small molecular values dominate the mechanical strength of DN hydrogels. Thus, in summary, the mechanical strength of the double network hydrogel can be improved by controlling the molecular weight of each layer network. 
文章引用：王超, 弓莹, 于蓉蓉, 惠小健. 双网络水凝胶的机械性能研究[J]. 自然科学, 2020, 8(5): 398-403. https://doi.org/10.12677/OJNS.2020.85049

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