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Can I read Insight into pyrolysis behavior of silicone-phenolic hybrid aerogel through thermal kinetic analysis and ReaxFF MD simulations on EtoBox?
Insight into pyrolysis behavior of silicone-phenolic hybrid aerogel through thermal kinetic analysis and ReaxFF MD simulations by Jie Xiao; Hanqi Zhang; Xu Gao; Hongyue Wang; Guodong Fang; Bing Wang; Changqing Hong; Songhe Meng is a Engineering article available to read on EtoBox.
What is Insight into pyrolysis behavior of silicone-phenolic hybrid aerogel through thermal kinetic analysis and ReaxFF MD simulations about?
Phenolic aerogel matrix nanocomposites are modified to improve their thermal stability and oxidation resistance, while the pyrolysis behavior will become more complex. Herein, the pyrolysis behavior of silicone-phenolic hybrid aerogel, as the pyrolyzable component of the nanocomposites, was investigated by thermal analysis experiments (TG-MS, TG-FTIR, and Py-GC/MS), kinetic studies (isoconversional methods and distributed activation energy model (DAEM)), and reactive force field molecular dynamics (ReaxFF MD) simulations. Experimentally, it was found that the main product of silicone-phenolic hybrid aerogel during the first decomposition stage is CH4, which was also validated by ReaxFF MD simulation. The main product CH4 was predominantly formed by hydrogen extraction reaction from silicone aerogel. The main decomposition products and pyrolysis kinetics of silicone-phenolic hybrid aerogel were analyzed by a combination of the multi-DAEM and ReaxFF MD simulations. The five-pseudo-components DAEM was utilized to reveal the decomposition of silicone-phenolic hybrid aerogel in five stages, which were in good agreement with the experimental conversion rates. The rearrangement of the Si-
Who reads Insight into pyrolysis behavior of silicone-phenolic hybrid aerogel through thermal kinetic analysis and ReaxFF MD simulations?
It is typically read by researchers, students, and practitioners in Engineering.
- Author
- Jie Xiao; Hanqi Zhang; Xu Gao; Hongyue Wang; Guodong Fang; Bing Wang; Changqing Hong; Songhe Meng
- Publisher
- Elsevier BV
- Published
- 2023
- Language
- EN
- Field
- Engineering (Physical Sciences)