EVOLUTION OF AMMONIA REACTION MECHANISMS AND MODELING PARAMETERS: A REVIEW
EVOLUTION OF AMMONIA REACTION MECHANISMS AND MODELING PARAMETERS: A REVIEW
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DOI：
10.1016/j.jaecs.2023.100175
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发表时间：
2023-07
影响因子：
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通讯作者：
A. Alnasif;S. Mashruk;H. Shi;M. Alnajideen;P. Wang;D. Pugh;A. Valera-Medina
中科院分区：
文献类型：
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作者：
A. Alnasif;S. Mashruk;H. Shi;M. Alnajideen;P. Wang;D. Pugh;A. Valera-Medina
氨（NH3）已被建议作为燃料以实现零碳排放。然而，处理氨需要仔细的研究，以揭示其作为一种合适的和有前途的燃料在大功率要求的广泛应用的限制。化学反应机制，广泛用于这些应用程序的建模，仍在开发中。因此，本次审查的目的是阐明目前的机制，在文献中，突出建模参数，直接影响反应速率，反过来又管每个反应机制的性能。关键的研究结果表明，大多数的反应机制有较差的性能时，预测氨火焰的燃烧特性，如层流火焰速度，点火延迟时间，和氮氧化物的排放量（NOx）。此外，没有一个机制已被有效地优化，以正确地预测所有这些燃烧特性的实验测量。例如，Duynslaegher的机制完美地预测了层流火焰速度在贫和化学计量的条件下，而中村的反应机制工作正常，在丰富的条件下的层流火焰速度的估计。虽然上述机制实现了良好的估计层流火焰速度方面，他们表现出对NO摩尔分数差的性能。同样，Glarborg（2018）的机制正确地估计了贫燃和化学计量火焰下的NO摩尔分数，而Wang的机制在富燃条件下对此类排放表现良好。其他例子在这份手稿中。最后，评估机制的预测性能根据操作条件、混合比和当量比而变化。大多数处理混合NH3组合的机制在氢气浓度较低时给出了良好的预测，而随着氢气浓度的增加而恶化;这是反应转变的结果，需要更多的研究。
Ammonia (NH3) has been suggested as a fuel to attain zero carbon emissions. However, dealing with ammonia needs careful studies to reveal its limits as a suitable and promising fuel for broad applications within large power requirements. Chemical reaction mechanisms, widely employed in the modeling of these applications, are still under development. Therefore, this review is aimed to shed light on the current mechanisms available in the literature, highlighting modeling parameters that directly affect reaction rates which in turn govern the performance of each reaction mechanism. The key findings denote that most of the reaction mechanisms have poor performance when predicting combustion characteristics of ammonia flames such as laminar flame speed, ignition delay time, and nitrogen oxide emissions (NOx). In addition, none of the mechanisms have been optimised efficiently to predict properly experimental measurements for all these combustion characteristics. For example, Duynslaegher's mechanism perfectly predicted the laminar flame speed at lean and stoichiometric conditions, while Nakamura's reaction mechanism worked properly at rich conditions for the estimation of laminar flame speed. Although the aforementioned mechanisms achieved good estimation in terms of laminar flame speed, they showed poor performance against NO mole fractions. Similarly, Glarborg's (2018) mechanism properly estimated NO mole fractions at lean and stoichiometric flames while Wang's mechanism performed well in rich conditions for such emissions. Other examples are presented in this manuscript. Finally, the prediction performance of the assessed mechanisms varies based on operating conditions, mixing ratios, and equivalence ratios. Most mechanisms dealing with blended NH3combinations gave good predictions when the concentration of hydrogen was low, while deteriorating with increasing hydrogen concentrations; a result of the shift in reactions that require more research.