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

IF 1.7 4区工程技术 Q4 ENERGY & FUELS

Combustion Science and Technology Pub Date : 2024-04-30 DOI:10.1080/00102202.2024.2347600

Xuesong Liu, Jun Shen, Ziqi Wang, Yun Guo, Sha Wang, Bin Chen, Shengxiang Deng, Hai Zhang

引用次数: 0

Abstract

Pyridine is one of the main nitrogen-containing compounds that produce NOx precursors (HNCO, HCN, NH3) in coal during pyrolysis, which can be converted into 2-pyridone (2-Py) in the presence of H2O...

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煤热解过程中 HNCO 形成的理论启示：机理、形成途径和 DFT 计算

吡啶是煤在热解过程中产生氮氧化物前体（HNCO、HCN、NH3）的主要含氮化合物之一，在 H2O 的存在下可转化为 2-吡啶酮（2-Py）...

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Combustion Science and Technology 工程技术-工程：化工

CiteScore

4.10

自引率

10.50%

发文量

182

审稿时长

8.3 months

期刊介绍： Combustion Science and Technology is an international journal which provides for open discussion and prompt publication of new results, discoveries and developments in the various disciplines which constitute the field of combustion. The editors invite original contributions dealing with flame and fire research, flame radiation, chemical fuels and propellants, reacting flows, thermochemistry, material synthesis, atmospheric chemistry and combustion phenomena related to aircraft gas turbines, chemical rockets, ramjets, automotive engines, furnaces and environmental studies. In so doing, the editors hope to establish a central vehicle for the rapid exchange of ideas and results emanating from the many diverse areas associated with combustion. Accordingly, both full-length papers on comprehensive studies, and communications of significant, but not fully explored, theoretical or experimental developments are included in the journal together with unsolicited and solicited comments on published matter and yearly, cumulative indices.