Abstract
We report an ultrafast transformation of poly(p-phenylene-2,6-benzobisoxazole) (PBO) fibers into carbon fibers (CFs) by direct carbonization that eliminates high-cost oxidation in traditional CF conversion. Ultrafast heating and cooling render PBO-derived CFs superlative mechanical properties. ReaxFF atomistic-scale reactive molecular dynamics simulations unveil the PBO to CF conversion mechanism in which ultrafast heating suppresses the O-contained gas release, facilitating all-carbon rings alignment during the carbonization of PBO. These findings provide new guidelines for identifying and evaluating alternative CF precursors and fresh perspectives on smart manufacturing of CFs.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 432-442 |
| Number of pages | 11 |
| Journal | Carbon |
| Volume | 159 |
| DOIs | |
| State | Published - Apr 15 2020 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Materials Science(all)
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Converting PBO fibers into carbon fibers by ultrafast carbonization. / Zhang, Liwen; Kowalik, Małgorzata; Gao, Zan; Ashraf, Chowdhury M.; Rajabpour, Siavash; Bumgardner, Clifton; Schwab, Yosyp; Damirchi, Behzad; Zhu, Jiadeng; Akbarian, Dooman; Klett, James W.; van Duin, Adri C.T.; Li, Xiaodong.
In: Carbon, Vol. 159, 15.04.2020, p. 432-442.Research output: Contribution to journal › Article
TY - JOUR
T1 - Converting PBO fibers into carbon fibers by ultrafast carbonization
AU - Zhang, Liwen
AU - Kowalik, Małgorzata
AU - Gao, Zan
AU - Ashraf, Chowdhury M.
AU - Rajabpour, Siavash
AU - Bumgardner, Clifton
AU - Schwab, Yosyp
AU - Damirchi, Behzad
AU - Zhu, Jiadeng
AU - Akbarian, Dooman
AU - Klett, James W.
AU - van Duin, Adri C.T.
AU - Li, Xiaodong
PY - 2020/4/15
Y1 - 2020/4/15
N2 - We report an ultrafast transformation of poly(p-phenylene-2,6-benzobisoxazole) (PBO) fibers into carbon fibers (CFs) by direct carbonization that eliminates high-cost oxidation in traditional CF conversion. Ultrafast heating and cooling render PBO-derived CFs superlative mechanical properties. ReaxFF atomistic-scale reactive molecular dynamics simulations unveil the PBO to CF conversion mechanism in which ultrafast heating suppresses the O-contained gas release, facilitating all-carbon rings alignment during the carbonization of PBO. These findings provide new guidelines for identifying and evaluating alternative CF precursors and fresh perspectives on smart manufacturing of CFs.
AB - We report an ultrafast transformation of poly(p-phenylene-2,6-benzobisoxazole) (PBO) fibers into carbon fibers (CFs) by direct carbonization that eliminates high-cost oxidation in traditional CF conversion. Ultrafast heating and cooling render PBO-derived CFs superlative mechanical properties. ReaxFF atomistic-scale reactive molecular dynamics simulations unveil the PBO to CF conversion mechanism in which ultrafast heating suppresses the O-contained gas release, facilitating all-carbon rings alignment during the carbonization of PBO. These findings provide new guidelines for identifying and evaluating alternative CF precursors and fresh perspectives on smart manufacturing of CFs.
UR - http://www.scopus.com/inward/record.url?scp=85077035539&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85077035539&partnerID=8YFLogxK
U2 - 10.1016/j.carbon.2019.12.067
DO - 10.1016/j.carbon.2019.12.067
M3 - Article
AN - SCOPUS:85077035539
VL - 159
SP - 432
EP - 442
JO - Carbon
JF - Carbon
SN - 0008-6223
ER -