In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation

Xiaolong Xing; Xiaoru Niu; Yun Liu; Changhong Yang; Shujuan Wang; Yu Li; Xinli Jing

doi:10.1016/j.polymdegradstab.2021.109534

In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation

Xiaolong Xing
, Xiaoru Niu
, Yun Liu
, Changhong Yang
, Shujuan Wang
, Yu Li
, Xinli Jing

School of Chemistry

Xi'an Jiaotong University
Xi'an Aerospace Composites Research Institute
MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter
Xi’an Key Laboratory of Sustainable Energy Material Chemistry

Research output: Contribution to journal › Article › peer-review

57 Scopus citations

Original language	English
Article number	109534
Journal	Polymer Degradation and Stability
Volume	186
DOIs	https://doi.org/10.1016/j.polymdegradstab.2021.109534
State	Published - Apr 2021

Keywords

Cleavage reaction
Phenolic resin
Pyrolysis mechanism
ReaxFF-MD simulation

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10.1016/j.polymdegradstab.2021.109534

Cite this

@article{a269a40da38144dba66cbaaeb48ce7a2,

title = "In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation",

keywords = "Cleavage reaction, Phenolic resin, Pyrolysis mechanism, ReaxFF-MD simulation",

author = "Xiaolong Xing and Xiaoru Niu and Yun Liu and Changhong Yang and Shujuan Wang and Yu Li and Xinli Jing",

year = "2021",

month = apr,

doi = "10.1016/j.polymdegradstab.2021.109534",

language = "英语",

volume = "186",

journal = "Polymer Degradation and Stability",

issn = "0141-3910",

publisher = "Elsevier Ltd",

}

TY - JOUR

T1 - In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation

AU - Xing, Xiaolong

AU - Niu, Xiaoru

AU - Liu, Yun

AU - Yang, Changhong

AU - Wang, Shujuan

AU - Li, Yu

AU - Jing, Xinli

PY - 2021/4

Y1 - 2021/4

KW - Cleavage reaction

KW - Phenolic resin

KW - Pyrolysis mechanism

KW - ReaxFF-MD simulation

UR - https://www.scopus.com/pages/publications/85101533815

U2 - 10.1016/j.polymdegradstab.2021.109534

DO - 10.1016/j.polymdegradstab.2021.109534

M3 - 文章

AN - SCOPUS:85101533815

SN - 0141-3910

VL - 186

JO - Polymer Degradation and Stability

JF - Polymer Degradation and Stability

M1 - 109534

ER -

In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation

Keywords

Access to Document

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