Effect of oxygen atom precursors addition on LTC-affected detonation in \({\hbox {DME}}{-}{\hbox {O}}_{2}{-}{\hbox {CO}}_{2}\) mixtures


The effects of ozone \(({\hbox {O}}_{3})\) or nitrogen dioxide \(({\hbox {NO}}_{2})\) as oxygen atom precursors on the characteristic length-scales of low-temperature chemistry (LTC)-affected detonation propagating in dimethyl \({\hbox {ether}}{-}{\hbox {O}}_{2}{-}{\hbox {CO}}_{2}\) mixtures were investigated using the Zeldovich–von Neumann–Döring model. The effect of these two additives on the energy release dynamics and chemical kinetics was analyzed. Under some conditions, up to three steps of energy release were observed. Ozone strengthens the LTC which results in a decrease in the induction zone length along with an increase of the energy release rate. The addition of \({\hbox {NO}}_{2}\) provides chemical pathways which lead to a bypass of the intermediate-temperature chemistry and a decrease in the separation distance between the first and the second steps of energy release. An increase of the energy release rate is also observed for the two first peaks. Among the two additives tested, ozone appears as the most promising to experimentally observe LTC-affected detonation with multi-stage energy release.

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RM was supported by a start-up fund of the Center for Combustion Energy of Tsinghua University, the Thousand Young Talents Program of China, and the 1000 Young Talents Matching Fund of Tsinghua University. YH was funded by China Postdoctoral Science Foundation (Grant Number 2019M650674).

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Correspondence to R. Mével.

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This paper is based on work that was presented at the 27th International Colloquium on the Dynamics of Explosions and Reactive Systems, Beijing, China, July 28–August 2, 2019.

Communicated by G. Ciccarelli.


Appendix 1: Effect of the amount of additive

Figure 8 shows the temperature profiles obtained using ZND simulations for \({\hbox {DME}}{-}{\hbox {O}}_{2}{-}{\hbox {CO}}_{2}\) mixtures with various amounts of \({\hbox {O}}_{3}\) and \({\hbox {NO}}_{2}\) addition. The effect of \({\hbox {O}}_{3}\) is more pronounced as \({\hbox {CO}}_{2}\) dilution is increased. At \(X_{{\hbox {CO}}_{2}}>0.70\), an addition of 100 ppm of \({\hbox {O}}_{3}\) can reduce the induction zone length of the first stage of ERR by 5 to 10 times. For \({\hbox {NO}}_{2}\), an addition of 1000 ppm is required to induce a clearly visible impact on the temperature profiles, whatever the \({\hbox {CO}}_{2}\) dilution is.

Fig. 8

ZND temperature profiles of \({\hbox {DME}}{-}{\hbox {O}}_{2}{-}{\hbox {CO}}_{2}\) mixtures without and with different amounts of O precursors addition. Conditions: \({\varPhi }=0.5\); \({{ {P}}}_{1} =100 \, {\hbox {kPa}}\); and \({ {T}}_{1} =300 \, {\hbox {K}}\). Solid lines: neat DME; Long-dash lines: DME \(+\) 100 ppm additive; Short-dash lines: DME \(+\) 1000 ppm additive; Long-short-dash lines: DME \(+\) 10,000 ppm additive

Appendix 2: Important elementary reactions

Table 3 lists the elementary reactions that were identified as important through the analysis of the EER, OH and \({\hbox {HO}}_{2}\) ROP, and sensitivity coefficient on temperature. The number of the reaction corresponds to the one used in the text.

Table 3 Important elementary reactions identified in the present work

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Mével, R., He, Y.Z. Effect of oxygen atom precursors addition on LTC-affected detonation in \({\hbox {DME}}{-}{\hbox {O}}_{2}{-}{\hbox {CO}}_{2}\) mixtures. Shock Waves (2020). https://doi.org/10.1007/s00193-020-00953-0

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  • Detonation structure
  • Ozone addition
  • Nitrogen dioxide addition
  • Low-temperature chemistry