Evaluation on hydrothermal gasification of styrene-butadiene rubber with oxidants via ReaxFF-MD simulation

S.Q. Nie,M.Q. Chen,Q.H. Li

SSRN Electronic Journal(2023)

引用 1|浏览1
暂无评分
摘要
•Hydrothermal gasification of styrene-butadiene rubber was examined by ReaxFF-MD.•The optimal equivalent ratio of oxidant for H2 yield was 0.4 between 350 and 600 °C.•H-abstraction reaction that OH radicals capture H atom was critical to degrade SBR.•The simulated critical temperature was determined to be 2050 K by RDF analysis.•H2O2 is easily converted to OH radicals compared with O2 and pure water.
更多
查看译文
关键词
Hydrothermal gasification,Styrene-butadiene rubber,H2O2,ReaxFF-MD,Thermodynamic analysis
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要