Influence of ozone addition on the low-temperature oxidation of dimethyl ether in a jet-stirred reactor
Influence of ozone addition on the low-temperature oxidation of dimethyl ether in a jet-stirred reactor
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喷射搅拌反应器中臭氧添加对二甲醚低温氧化的影响
DOI：
10.1016/j.combustflame.2019.12.036
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发表时间：
2020-04
影响因子：
4.4
通讯作者：
Bin Yang
中科院分区：
文献类型：
--
作者：
H;ong Liao;Shiqing Kang;Nils Hansen;Feng Zhang;Bin Yang
在常压射流搅拌反应器中，在400-800 K温度范围内，研究了臭氧对二甲醚低温氧化反应的影响。采用同步辐射真空紫外光电离质谱获得详细的形态信息。实验结果表明，臭氧的加入对高活性中间体的产生有积极的影响。此外，二甲醚的低温反应性显着增强，这导致在较低的温度下的燃料消耗和中间产物形成的温度窗口的拓宽。因此，新的实验数据的低温区（400-500 K）可以获得。这种特殊温度状态的数据集产生了对DME低温动力学的洞察，这进一步得到了基于两个现有DME模型的建模分析的支持（Metcalfe等人，2013; Wang等人，2015）结合臭氧子机制（Zhao等人，2016年）。分析表明，温度敏感的反应，如第二个氧通道，可以在这个低温（T< 440 K）几乎“冻结”。此外，一些中间体的产生被发现强烈的反应对，如CH 3 OCH 2 + O2= CH 3 OCH 2 O2和CH 3 OCH 2 + O2= 2CH 2 O + OH的CH 2 O的形成。这一发现可能是有用的检查在两个模型中的分支比，分析表明，进一步修改的分支比的氧加成到CH 3 OCH 2 O2途径和CH 3 OCH 2 O2自反应是必要的。最后，研究了O3对燃料初始低温氧化敏感反应的影响。有趣的是，O3的加入可以改变初始低温氧化中的主导反应，通过增加一些O3相关的具有相对高灵敏度的途径。
The influence of ozone addition on the low-temperature oxidation of dimethyl ether (DME) was investigated experimentally in an atmospheric-pressure jet-stirred reactor, over the temperature range of 400–800 K. Detailed speciation information was obtained by employing synchrotron vacuum ultraviolet photoionization mass spectrometry. Experimental results revealed that the ozone addition had a positive influence on the production of the highly reactive intermediates. Moreover, the low-temperature reactivity of DME was significantly enhanced, which resulted in the broadening of the temperature window of fuel consumption and intermediates formation at lower temperatures. Therefore, novel experimental data of the low temperature regime (400–500 K) could be obtained. The data set of this special temperature regime yielded insights into the DME low-temperature kinetics, which were further supported with modeling analysis based on two existing DME models (Metcalfe et al., 2013; Wang et al., 2015) combined with an ozone sub-mechanism (Zhao et al., 2016). The analysis showed that temperature-sensitive reactions such as the second oxygen channel could be nearly “frozen” at this low temperature (T< 440 K). Furthermore, the production of some intermediates was found to be strongly governed by reaction pairs, such as CH3OCH2+ O2= CH3OCH2O2and CH3OCH2+ O2= 2CH2O + OH for the CH2O formation. This finding could be useful for examining branching ratios in both models, and the analysis suggested the further modification of the branching ratios for the oxygen addition to CH3OCH2O2pathways and the CH3OCH2O2self-reactions were required. Finally, the influences of the O3addition in the sensitive reactions of the fuel initial low-temperature oxidation were investigated in this work. It was interesting to note that O3addition could change the dominating reactions in the initial low-temperature oxidation, by the addition of some O3-related pathways with relatively high sensitivity.
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作者：
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