Exploring polymer precursors for low-cost high performance carbon fiber: A materials genome approach to finding polyacrylonitrile-co-poly(N-vinyl formamide)

Zhou，Hongkang1; Li，Maochun1; Zhu，Jian3; Chen，Rouxi1; Wang，Xin2; Wang，Hsing Lin1

2022-03-14

10.1016/j.polymer.2022.124570

POLYMER   影响因子和分区

0032-3861

1873-2291

Traditional single batch trial-and-error experiment has failed to screen promising copolymer candidates for polyacrylonitrile (PAN)-based carbon fiber at high efficiency. In this work, theoretical computation coupled with high-throughput experiments were employed to accelerate the searching of new potential polyacrylonitrile (PAN) copolymer precursor for low-cost and high-performance carbon fiber. A series of target PAN copolymers involving the pre-screened comonomers were synthesized using a custom-made ten channel polymerizer. With the designed three-step screening, a N-vinyl formamide (NVF) PAN copolymer producing low onset cyclization temperature (155.5 °C), high extent of stabilization (94%) and heat-resistant stabilized products (T of 434.5 °C and residual of 78.9% at 700 °C) was discovered. The new P(AN-co-NVF) copolymer has a lower activation energy of 22.21 kcal/mol than traditional P(AN-co-IA) (26.71 kcal/mol) and P(AN-co-AM) (25.98 kcal/mol) copolymer at a wide range of NVF content, accounting for its low-temperature cyclization. This work verified the feasibility of the materials genome approach in the exploration of suitable carbon fiber precursors.

Carbon fiber precursor High-throughput polymerizer PAN copolymer

SCI ; EI

英语

第一

National Key Research and Devel-opment Program of China[2018YFB0704100] ; Key-Area Research and Development Program of Guangdong Province[2019B010941001]

Polymer Science

Polymer Science

WOS:000783223200001

ELSEVIER SCI LTD

20220711630732

Activation energy ; Amides ; Costs ; Cyclization ; Genes ; Temperature

Biological Materials and Tissue Engineering:461.2 ; Thermodynamics:641.1 ; Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Organic Compounds:804.1 ; Cost and Value Engineering; Industrial Economics:911

CHEMISTRY

2-s2.0-85124408214

Scopus

1.Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China
2.Songshan Lake Materials Laboratory,Dongguan,523808,China
3.Academy for Advanced Interdisciplinary Studies,Southern University of Science and Technology,Shenzhen,518055,China

Zhou，Hongkang,Li，Maochun,Zhu，Jian,et al. Exploring polymer precursors for low-cost high performance carbon fiber: A materials genome approach to finding polyacrylonitrile-co-poly(N-vinyl formamide)[J]. POLYMER,2022,243.

Zhou，Hongkang,Li，Maochun,Zhu，Jian,Chen，Rouxi,Wang，Xin,&Wang，Hsing Lin.(2022).Exploring polymer precursors for low-cost high performance carbon fiber: A materials genome approach to finding polyacrylonitrile-co-poly(N-vinyl formamide).POLYMER,243.

Zhou，Hongkang,et al."Exploring polymer precursors for low-cost high performance carbon fiber: A materials genome approach to finding polyacrylonitrile-co-poly(N-vinyl formamide)".POLYMER 243(2022).