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

IF 5.8 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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引用次数: 0

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, CH_4, 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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来源期刊

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.