High-pressure conversion of ammonia additivated with dimethyl ether in a flow reactor

IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Combustion and Flame Pub Date : 2025-02-01 DOI:10.1016/j.combustflame.2024.113875
Pedro García-Ruiz, Pablo Ferrando, María Abián, María U. Alzueta
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Abstract

The oxidation of ammonia (NH3) mixed with dimethyl ether (DME) was investigated from experimental and modeling points of view using a quartz flow reactor with argon as bath gas from 350 K to 1225 K, for two different DME/NH3 ratios (0.05 and 0.3), three oxygen excess ratios (λ = 0.7, 1 and 3) and various pressures (1, 10, 20 and 40 bar).
The effect of pressure, oxygen stoichiometry, temperature, and DME/NH3 ratio has been analyzed on DME, NH3, NO, NO2, N2O, N2, O2, H2, HCN, CH4, CO, and CO2 concentrations.
The present study indicates that oxygen availability, DME/NH3 ratio, and pressure are important variables that shift NH3 and DME conversion to lower temperatures as their values increase. Under certain conditions, the pressure effect can avoid NO and HCN production, which would represent a benefit for pressure applications.
The main products of ammonia/dimethyl ether oxidation are N2, N2O, CO, and CO2, and under certain conditions, NO, H2, CH4, and HCN are also produced. NO2 is always detected below 5 ppm for all the conditions considered. The N2O formation is favored by increasing the O2 stoichiometry, pressure, and/or DME/NH3 ratio.
The experimental results are interpreted and discussed in terms of an updated detailed chemical kinetic mechanism, which captures, with a general good agreement, the main trends of NH3 and DME conversion under the considered conditions. Despite this, some calculated species present discrepancies with the experimental results. The main challenge is the consideration of the C-N interactions that can be present in the combustion of DME/NH3 mixtures.
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氨加二甲醚在流动反应器中的高压转化
从实验和模型的角度研究了氨(NH3)与二甲醚(DME)混合在一起的氧化反应,使用石英流反应器,氩气为浴气,温度从350 K到1225 K, DME/NH3的两种不同比例(0.05和0.3),三种氧气过剩比(λ = 0.7, 1和3)和不同压力(1,10,20和40 bar)。分析了压力、氧化学计量、温度和DME/NH3比对DME、NH3、NO、NO2、N2O、N2、O2、H2、HCN、CH4、CO和CO2浓度的影响。本研究表明,氧可用性、二甲醚/氨比和压力是影响NH3和二甲醚转化温度的重要因素。在一定条件下,压力效应可以避免NO和HCN的产生,这对压力应用是有利的。氨/二甲醚氧化反应的主要产物是N2、N2O、CO和CO2,在一定条件下还会生成NO、H2、CH4和HCN。在所有考虑的条件下,二氧化氮总是低于5ppm。增加氧的化学计量、压力和/或DME/NH3比有利于N2O的形成。实验结果用更新的详细化学动力学机制进行了解释和讨论,该机制与所考虑的条件下NH3和二甲醚转化的主要趋势基本一致。尽管如此,一些计算物种与实验结果存在差异。主要的挑战是考虑在二甲醚/氨混合物燃烧中可能存在的C-N相互作用。
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来源期刊
Combustion and Flame
Combustion and Flame 工程技术-工程:化工
CiteScore
9.50
自引率
20.50%
发文量
631
审稿时长
3.8 months
期刊介绍: The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on: Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including: Conventional, alternative and surrogate fuels; Pollutants; Particulate and aerosol formation and abatement; Heterogeneous processes. Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including: Premixed and non-premixed flames; Ignition and extinction phenomena; Flame propagation; Flame structure; Instabilities and swirl; Flame spread; Multi-phase reactants. Advances in diagnostic and computational methods in combustion, including: Measurement and simulation of scalar and vector properties; Novel techniques; State-of-the art applications. Fundamental investigations of combustion technologies and systems, including: Internal combustion engines; Gas turbines; Small- and large-scale stationary combustion and power generation; Catalytic combustion; Combustion synthesis; Combustion under extreme conditions; New concepts.
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