Exploring the low-temperature oxidation chemistry with ozone addition in an RCM: A case study on ethanol

Liao, Wanxiong; Kang, Shiqing; Chu, Zhaohan; Liu, Zhongkai; Wang, Yiru; Yang, Bin

doi:10.1016/j.combustflame.2021.111727

Cited by 20 publications

(2 citation statements)

References 47 publications

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“…Ozone is a strong oxidizer and can be produced at high pressures, which is suitable for most practical combustion facilities . The fundamental research for ozone enhancement on combustion has been conducted for various fuels, such as CH 4 , , C 2 H 4 , , dimethyl ether (DME), ethanol, n -heptane, methyl crotonate, and methyl hexanoate . The effect of ozone addition on ammonia combustion has only been studied regarding laminar burning velocity (LBV) by Chen et al The enhancement of the LBV of the NH 3 /O 2 /N 2 mixture by O 3 addition is more significant in fuel-lean conditions than in fuel-rich and stoichiometric conditions.…”

Section: Introductionmentioning

confidence: 99%

Exploring the Effect of Different Reactivity Promoters on the Oxidation of Ammonia in a Jet-Stirred Reactor

Shu

et al. 2023

J. Phys. Chem. A

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The low reactivity of ammonia (NH 3 ) is the main barrier to applying neat NH 3 as fuel in technical applications, such as internal combustion engines and gas turbines. Introducing combustion promoters as additives in NH 3 -based fuel can be a feasible solution. In this work, the oxidation of ammonia by adding different reactivity promoters, i.e., hydrogen (H 2 ), methane (CH 4 ), and methanol (CH 3 OH), was investigated in a jet-stirred reactor (JSR) at temperatures between 700 and 1200 K and at a pressure of 1 bar. The effect of ozone (O 3 ) was also studied, starting from an extremely low temperature (450 K). Species mole fraction profiles as a function of the temperature were measured by molecular-beam mass spectrometry (MBMS). With the help of the promoters, NH 3 consumption can be triggered at lower temperatures than in the neat NH 3 case. CH 3 OH has the most prominent effect on enhancing the reactivity, followed by H 2 and CH 4 . Furthermore, two-stage NH 3 consumption was observed in NH 3 /CH 3 OH blends, whereas no such phenomenon was found by adding H 2 or CH 4 . The mechanism constructed in this work can reasonably reproduce the promoting effect of the additives on NH 3 oxidation. The cyanide chemistry is validated by the measurement of HCN and HNCO. The reaction CH 2 O + NH 2 ⇄ HCO + NH 3 is responsible for the underestimation of CH 2 O in NH 3 /CH 4 fuel blends. The discrepancies observed in the modeling of NH 3 fuel blends are mainly due to the deviations in the neat NH 3 case. The total rate coefficient and the branching ratio of NH 2 + HO 2 are still controversial. The high branching fraction of the chain-propagating channel NH 2 + HO 2 ⇄ H 2 NO + OH improves the model performance under lowpressure JSR conditions for neat NH 3 but overestimates the reactivity for NH 3 fuel blends. Based on this mechanism, the reaction pathway and rate of production analyses were conducted. The HONO-related reaction routine was found to be activated uniquely by adding CH 3 OH, which enhances the reactivity most significantly. It was observed from the experiment that adding ozone to the oxidant can effectively initiate NH 3 consumption at temperatures below 450 K but unexpectedly inhibit the NH 3 consumption at temperatures higher than 900 K. The preliminary mechanism reveals that adding the elementary reactions between NH 3 -related species and O 3 is effective for improving the model performance, but their rate coefficients have to be refined.

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Section: Introductionmentioning

confidence: 99%

Exploring the Effect of Different Reactivity Promoters on the Oxidation of Ammonia in a Jet-Stirred Reactor

Shu

et al. 2023

J. Phys. Chem. A

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“…One physical sampling method is using a fast-acting sample valve to extract only a small amount of the testing mixture, which would be referred to as the “fast sampling method” hereafter. The fast sampling method was developed by Wooldridge and co-workers , and has been applied in the autoignition chemistry studies of alkanes, alcohols , esters, and so forth. The fast sampling system mainly consists of a sample tank equipped with a pressure transducer, a fast-acting solenoid valve controlled by a pulse signal generator, and a probe tube inside the reaction chamber.…”

Section: Introductionmentioning

confidence: 99%

Numerical Study toward Fast Intermediate Species Sampling with High Accuracy in a Rapid Compression Machine

Kong

Fei

et al. 2022

Energy Fuels

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Rapid compression machines (RCMs), as prominent zero-dimensional homogeneous reactors, have been widely applied in autoignition chemistry investigations. However, species sampling in these reactors is challenged by quantitative accuracy and the limited time allowed for transient sampling. In this study, the uncertainty of quantitative species sampling during the autoignition of a typical fuel/oxidizer mixture was numerically evaluated. Results show that the sampled species profiles tend to lag behind the "true" values due to the dilution of gases outside of the "core" region. When sampling at a longer ignition delay time, increasing the sample duration over 2 ms has very limited improvement on the sampling accuracy, and adopting a 10 mm probe tube is long enough to minimize the errors caused by dilution. In the reaction chamber where nonideal gas disturbance occurs, the sampled gases can be seriously diluted, leading to large deviations in the results. Concentration uncertainties vary among species, while uncertainties in the normalized time are consistent, which can be limited to 6% with proper piston design and sampling setups.

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On the Intelligent Optimization of the Crevice Structure in a Rapid Compression Machine

Guo,

Liu,

et al. 2024

J. Therm. Sci.

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Exploring the low-temperature oxidation chemistry with ozone addition in an RCM: A case study on ethanol

Cited by 20 publications

References 47 publications

Exploring the Effect of Different Reactivity Promoters on the Oxidation of Ammonia in a Jet-Stirred Reactor

Exploring the Effect of Different Reactivity Promoters on the Oxidation of Ammonia in a Jet-Stirred Reactor

Numerical Study toward Fast Intermediate Species Sampling with High Accuracy in a Rapid Compression Machine

On the Intelligent Optimization of the Crevice Structure in a Rapid Compression Machine

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