作者: Takahiro Senda , Yasuhiro Yamada , Masakazu Morimoto , Noriko Nono , Toshiaki Sogabe
DOI: 10.1016/J.CARBON.2018.10.026
关键词:
摘要: Abstract Isotropic pitch-based carbon fiber has been utilized for various applications such as thermal insulation materials high-temperature furnace and additives slide member, but the structure of is still under debate. This because precursor pitch contains aromatic compounds in addition to complicated oxidation carbonization reaction during production process fiber. In this work, processes model pyrene (sp2C H with zigzag-like edges), triphenylene armchair fluorene (pentagon sp3CH2), 9-methylanthracene (hexagon sp3CH3) were analyzed using mass spectrometry, elemental analysis, infrared (IR), Raman, X-ray photoelectron spectroscopy (XPS) calculation molecular dynamic simulation a reactive force field (ReaxFF) IR, XPS spectra (Gaussian09). Combination calculations experiments revealed that proceeded order edges > sp3CH3 > sp2CH2 > armchair edges, quinone formed by worked crosslinking reaction. It expected results which origin crosslinking, could lead improve properties well estimate detailed structures isotropic