Abstract Understanding of the chemical processes that govern formation and destruction of nitrogen oxides (NOx) in combustion processes continues to be a challenge. Even though this area has been the subject of extensive research over the last four decades, there are still unresolved issues that may limit the accuracy of engineering calculations and thereby the potential of primary measures for NOx control. In this review our current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed. The thermochemistry of the relevant nitrogen compounds is updated, using the Active Thermochemical Tables (ATcT) approach. Rate parameters for the key gas-phase reactions of the nitrogen species are surveyed, based on available information from experiments and high-level theory. The mechanisms for thermal and prompt-NO, for fuel-NO, and NO formation via NNH or N2O are discussed, along with the chemistry of NO removal processes such as reburning and Selective Non-Catalytic Reduction of NO. Each subset of the mechanism is evaluated against experimental data and the accuracy of modeling predictions is discussed.

中文翻译：

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模拟燃烧中的氮化学

摘要 了解控制燃烧过程中氮氧化物 (NOx) 形成和破坏的化学过程仍然是一个挑战。尽管该领域在过去四年中一直是广泛研究的主题，但仍有一些未解决的问题可能会限制工程计算的准确性，从而限制 NOx 控制主要措施的潜力。在这篇综述中，我们讨论了我们目前对燃烧产生的含氮空气污染物的机制的理解。使用活性热化学表 (ATcT) 方法更新了相关氮化合物的热化学。根据来自实验和高级理论的可用信息，调查了氮物种的关键气相反应的速率参数。讨论了热和瞬发一氧化氮、燃料一氧化氮和通过 NNH 或 N2O 形成 NO 的机制，以及 NO 去除过程的化学反应，如再燃烧和选择性非催化还原 NO。该机制的每个子集都根据实验数据进行评估，并讨论了建模预测的准确性。