• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>RSC Advances >Dipropargyl ether bisphenol A based boron-containing polymer: synthesis, characterization and molecular dynamics simulations of the resulting pyrolysis and carbonization
【24h】

Dipropargyl ether bisphenol A based boron-containing polymer: synthesis, characterization and molecular dynamics simulations of the resulting pyrolysis and carbonization

机译：二炔丙基醚双酚A基含硼聚合物：所得热解和碳化的合成，表征和分子动力学模拟

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Boron-containing polymers have recently attracted worldwide attention due to their ability to affect the thermal and oxidation resistance of an in situ formed material during pyrolytic carbonization. In this work, a novel dipropargyl ether bisphenol A based boron-containing (PB) precursor polymer, which can thermally cure via propargyl groups, was synthesized. PB was characterized with Fourier transform infrared spectroscopy and nuclear magnetic resonance (H-1, B-11 and C-13). Thermogravimetric analysis indicated the outstanding thermo-oxidative stability of PB thermosets with the temperature of 5% weight loss of 362 degrees C and char yield of 56.7% at 800 degrees C in air, while those are 416 degrees C and 74.0%, respectively, in nitrogen. The time evolution of major pyrolysis products including pyrolysis mechanism of PB thermosets were examined via thermogravimetry-Fourier transform infrared spectra as well as reactive molecular dynamics (ReaxFF-MD) simulations. In addition, the carbonized structure of PB thermosets was analyzed using X-ray photoelectron spectroscopy and X-ray powder diffraction. Formation of the graphitic fragment was simulated with ReaxFF-MD. Combining the ReaxFF-MD simulation with the experimental analysis, the way that boron atoms insert into the graphitic structure was illustrated.
机译：含硼聚合物由于其在热解碳化过程中影响原位形成材料的耐热性和抗氧化性的能力，最近引起了全世界的关注。在这项工作中，合成了可以通过炔丙基热固化的新型的二炔丙基醚双酚A基含硼（PB）前体聚合物。 PB用傅立叶变换红外光谱和核磁共振（H-1，B-11和C-13）表征。热重分析表明，PB热固性塑料具有出色的热氧化稳定性，在空气中800摄氏度时，失重5％的温度为362摄氏度，焦炭产率为56.7％，而在室温下分别为416摄氏度和74.0％。氮。通过热重-傅立叶变换红外光谱以及反应分子动力学（ReaxFF-MD）模拟，检查了主要热解产物的时间演变，包括PB热固性树脂的热解机理。此外，使用X射线光电子能谱和X射线粉末衍射分析了PB热固性材料的碳化结构。用ReaxFF-MD模拟石墨片段的形成。将ReaxFF-MD模拟与实验分析相结合，说明了硼原子插入石墨结构的方式。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号