Theoretical Revelation of HNCO Formation during Coal Pyrolysis: Mechanism, Formation Pathway and DFT Calculation-Reference-Cited by-同舟云学术

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Theoretical Revelation of HNCO Formation during Coal Pyrolysis: Mechanism, Formation Pathway and DFT Calculation

Published:2024-04-30 Issue: Volume: Page:1-14
ISSN:0010-2202
Container-title:Combustion Science and Technology
language:en
Short-container-title:Combustion Science and Technology

Author:

Liu Xuesong¹,Shen Jun¹,Wang Ziqi¹,Guo Yun¹,Wang Sha¹,Chen Bin²,Deng Shengxiang¹,Zhang Hai³

Affiliation:

1. School of Mechanical and Automotive Engineering, Shanghai University of Engineering Science, Shanghai, P.R. China

2. School of Mechanical Engineering, University of Shanghai for Science and Technology, Shanghai, P.R. China

3. School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai, P.R. China

Funder

Youth Scientific Research Team Cultivation Program of Shanghai University of Engineering and Technology

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/00102202.2024.2347600

Reference32 articles.

1. Potential environmental benefits of direct electric heating powered by waste-to-energy processes as a replacement of solid-fuel combustion in semi-rural and remote areas

2. The thermal decomposition of pyrrole: an ab initio quantum chemical study of the potential energy surface associated with the hydrogen cyanide plus propyne channel

3. Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy

4. Stabilities of hydrocarbons and carbocations. 1. A comparison of augmented 6-31G, 6-311G, and correlation consistent basis sets

5. The effect of metal calcium on nitrogen migration and transformation during coal pyrolysis: Mass spectrometry experiments and quantum chemical calculations

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