Ab-initio studies of thermal unimolecular decomposition of furan: A complementary deterministic and stochastic master equation model

Fuel(2020)

引用 16|浏览9
暂无评分
摘要
•The detailed kinetics of furan pyrolysis is provided for 800–2000 K & 0.001–100 atm.•A deterministic/stochastic Master Equation rate model is used on the W1U surface.•Computed numbers are found in good agreement with literature data.•Detailed kinetic sub-mechanism is provided for further modeling and simulation.•The performance of different quantum methods for kinetic purposes is also discussed.
更多
查看译文
关键词
Biofuel,Furan pyrolysis,Rate constants,RRKM/ME,Stochastic,Deterministic
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