The study of damping property and mechanism of thermoplastic polyurethane/phenolic resin through a combined experiment and molecular dynamics simulation
The study of damping property and mechanism of thermoplastic polyurethane/phenolic resin through a combined experiment and molecular dynamics simulation
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实验与分子动力学模拟相结合研究热塑性聚氨酯/酚醛树脂阻尼性能及机理
DOI：
10.1007/s10853-018-2218-3
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发表时间：
2018-06-01
影响因子：
4.5
通讯作者：
Guo, Shaoyun
中科院分区：
文献类型：
--
作者：
Zhou, Rui;Gao, Weiqiang;Guo, Shaoyun
本文首次通过引入羟基活性较高、相对分子质量较大的酚醛树脂(PR)来调节热塑性聚氨酯(TPU)的减振性能。采用分子动力学(MD)模拟和实验相结合的方法，系统地阐明了其增强减振性能的机理。分子动力学模拟结果定量地给出了氢键(H键)、结合能和自由体积分数(FFV)。当PR含量增加到40%时，其氢键数目最多，结合能最高，FFV相对较小。同时，实验结果表明PR与TPU聚合物链之间确实存在氢键相互作用。随着PR含量的增加，体系的玻璃化转变温度(Tg)和损耗因子(tanδ)显著提高，有效阻尼温度范围变宽，峰位向室温移动。本研究可为设计高性能的TPU基减振材料提供一定的参考。
In this paper, the damping property of thermoplastic polyurethane (TPU) was firstly regulated by introducing the phenolic resin (PR) with more active hydroxyl group and larger molecular weight. The mechanism of enhanced damping property was systematically elucidated through the combination of molecular dynamic (MD) simulation and experimental methods. The MD simulation results showed the hydrogen bonds (H-bonds), binding energy, and fractional free volume (FFV) in the quantitative way. When the PR content increased to 40%, it had the largest number of H-bonds, highest binding energy, and relative small FFV. Meanwhile, the experimental results showed that there indeed existed H-bonds interaction between PR and TPU polymer chains. Furthermore, the glass transition temperature (Tg) as well as the loss factor (tanδ) was remarkably improved with increasing the PR content, the effective damping temperature range was broadened, the peak position was also moved to room temperature. This study can provide some reference for designing high-performance TPU-based damping materials.