Data for publication "High-Pressure Oxidation of Ammonia Mixed with Dimethoxymethane"

This repository contains the data of the publication: High-Pressure Oxidation of Ammonia Mixed with Dimethoxymethane. Authors: Katiuska Alexandrino, Álvaro Ándres, Alicia Callejas, María U. Alzueta. The oxidation of ammonia-dimethoxymethane (NH3-DMM) mixtures at high pressure was analyzed from both experimental and kinetic modeling points of view. Experiments were performed using a laboratory tubular flow reactor installation and were conducted at 10, 20, and 40 bar under fuel-rich (λ = 0.7), stoichiometric (λ = 1), and fuel-lean (λ = 3) conditions and temperatures ranging from 650 to 1250 K. The inlet DMM concentration was varied (100 and 200 ppm), keeping the concentration of ammonia constant at 1000 ppm. The data were interpreted in terms of a detailed chemical kinetic model. Despite some discrepancy between the model predictions and measurements, the model accurately followed the experimental trends, highlighting its ability to describe the oxidation of the NH3-DMM mixture. The experimental and predicted results suggested that the conversion of both ammonia and DMM was favored by increased pressure and higher inlet concentrations of O2 and DMM. Under the conditions of the present work, the dominant path for ammonia and DMM conversion leads to N2/N2O and CO/CO2 in any case. Concentrations of NO and NO2 were below the detection limit in all the experimental conditions studied, which imply a benefit in the reduction of NOx emissions during the combustion of pure ammonia. DMM enhanced the ammonia reactivity, although its presence leads to the formation of CO2 not only by the common CO + OH reaction but also through the interaction of N2O with CO.本仓库收录了研究论文《氨（Ammonia, NH₃）与二甲氧基甲烷（Dimethoxymethane, DMM）的高压氧化反应》的相关数据，作者为Katiuska Alexandrino、Álvaro Ándres、Alicia Callejas、María U. Alzueta。 本研究从实验与动力学建模两个维度，对氨-二甲氧基甲烷（NH₃-DMM）混合体系的高压氧化过程展开分析。实验采用实验室管式流动反应器（tubular flow reactor）装置完成，测试压力分别为10、20、40巴（bar），工况涵盖富燃工况（λ=0.7）、化学计量比工况（λ=1）及贫燃工况（λ=3）三类，反应温度区间为650~1250 K。实验过程中保持氨气入口浓度恒定为1000 ppm，同时调整二甲氧基甲烷的入口浓度，设置为100 ppm与200 ppm两个水平。 本研究采用详细化学动力学模型（detailed chemical kinetic model）对实验数据进行解析。尽管模型预测结果与实验测量值间存在一定偏差，但该模型仍准确复现了实验的变化趋势，证实其可有效描述氨-二甲氧基甲烷混合体系的氧化过程。实验与模拟结果均表明，升高压力以及提升氧气与二甲氧基甲烷的入口浓度，均可促进氨与二甲氧基甲烷的转化。在本研究的工况范围内，无论何种条件，氨与二甲氧基甲烷的主要转化路径均会生成N₂/N₂O与CO/CO₂。所有实验工况下，NO与NO₂的浓度均低于检测限（detection limit），这表明纯氨燃烧过程中可有效降低氮氧化物（NOₓ）排放。二甲氧基甲烷可提升氨的反应活性，但该物质的存在不仅会通过常见的CO+OH反应生成CO₂，还可通过N₂O与CO的相互作用途径产生CO₂。