Tuning of structural/functional feature of carbon fibers: New insights into the stabilization of polyacrylonitrile

Zhou，Hongkang1; Zhu，Jian2; Wang，Hsing Lin1

2023-08-08

10.1016/j.polymer.2023.126157

Polymer   影响因子和分区

0032-3861

1873-2291

The transformation mechanisms from linear polyacrylonitrile (PAN) to ladder structure during stabilization is still controversial. Here, the thermal stabilization mechanism of PAN in nitrogen and air are investigated by variable temperature infrared spectrometry (VTIR), Solid-state (ss) NMR spectroscopy and the density functional theory (DFT). Our results show that the stabilization process of PAN under air is initiated via oxidation reaction, followed by the cyclization and dehydrogenation reaction. Furthermore, during the stabilization of PAN in nitrogen, a new intermediate structure with longer conjugation than the final isolated pyridine ring structure is proposed. Subsequently, we optimized the atmosphere of stabilization process according to the evolution of molecular structure. Consequently, compared with the traditional approach of heat treatment in air, pretreating the precursor fibers in nitrogen at a relative low temperature are shown to improve the char yield by 14.6%, and increase the thermal conductivity by 663%.

SCI ; EI

英语

第一

Key Area Research and Development Program of Guangdong Province["2019B010941001","2022410137"]

Polymer Science

Polymer Science

WOS:001042992100001

ELSEVIER SCI LTD

20232914403200

Cyclization ; Dehydrogenation ; Density functional theory ; Infrared spectroscopy ; Linear transformations ; Nitrogen ; Nuclear magnetic resonance spectroscopy ; Temperature ; Thermal conductivity

Thermodynamics:641.1 ; Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Mathematical Transformations:921.3 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

CHEMISTRY

2-s2.0-85164714899

Scopus

1.Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China
2.Academy for Advanced Interdisciplinary Studies,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China

Zhou，Hongkang,Zhu，Jian,Wang，Hsing Lin. Tuning of structural/functional feature of carbon fibers: New insights into the stabilization of polyacrylonitrile[J]. Polymer,2023,282.

Zhou，Hongkang,Zhu，Jian,&Wang，Hsing Lin.(2023).Tuning of structural/functional feature of carbon fibers: New insights into the stabilization of polyacrylonitrile.Polymer,282.

Zhou，Hongkang,et al."Tuning of structural/functional feature of carbon fibers: New insights into the stabilization of polyacrylonitrile".Polymer 282(2023).