A kinetic investigation on low-temperature ignition of propane with ozone addition in an RCM

Liao, Wanxiong; Chu, Zhaohan; Wang, Yiru; Yang, Bin

doi:10.1016/j.proci.2022.07.261

Cited by 7 publications

(3 citation statements)

References 36 publications

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“…To understand these trends, we constructed a gas-phase microkinetic model, adapted from the literature. 27,31 We modeled the system as an isothermal plug-flow reactor and found that this reasonably predicts the selectivity vs. conversion trend (Fig. 5).…”

Section: Resultsmentioning

confidence: 93%

“…30 The model consisted of an isothermal plug flow reactor model and a microkinetic mechanism adapted from a recent publication in the combustion literature by Liao and co-workers studying low-temperature ignition of C 3 H 8 –O 2 flames with O 3 . 31 This model was further appended by a model published recently by Deshlahra and co-workers studying NO-initiated propane ODH. 27 We note that the gas-phase reactions likely exhibit a laminar flow profile and therefore rigorous modelling of the rate of reaction should account for this.…”

Section: Methodsmentioning

confidence: 99%

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From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane

Kurumbail,

McDermott,

Lebrón-Rodríguez

et al. 2024

React. Chem. Eng.

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Section: Resultsmentioning

confidence: 93%

Section: Methodsmentioning

confidence: 99%

From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane

Kurumbail,

McDermott,

Lebrón-Rodríguez

et al. 2024

React. Chem. Eng.

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“…While oxidation by O atoms mainly speeds up chain-branching reactions, − ozonolysis initiates fuel conversion at ambient temperatures. This process yields different oxidation products, thereby altering the overall reaction network.…”

Section: Introductionmentioning

confidence: 99%

Enhancing 1-Hexene Reactivity Under Inhibitive Temperatures Using Ozone

Lewin,

Herbinet,

Battin-Leclerc

et al. 2024

Energy Fuels

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This research delved into the oxidation chemistry of 1hexene with and without the addition of O 3 within a 350−800 K temperature range using a near-atmospheric pressure jet-stirred reactor. Via gas chromatography and mass spectrometry, the products were identified, revealing O 3 's ability to enhance fuel oxidation and enabling significant conversion in typically inhibitive conditions (below 500 K and above 700 K). Due to the addition of O 3 , efficient fuel conversion is observed at the lowest temperatures, while a significant fuel reactivity persists in the high temperature zone, where the negative temperature coefficient behavior is almost fully suppressed. The addition of O 3 induces an increased production of aldehydes (formaldehyde, acetaldehyde, propanal, butanal, and pentanal) and acids (pentanoic acid) at the lowest temperatures and amplifies the formation of several products (CO 2 , CO, butene, butyl-oxirane, 2-butanone, ethylene, methanol, ethanol, furan, acrolein, acetone, propene, butadiene, methyloxirane, ethyloxirane, pentane, and methylvinylketone) at higher temperatures. A significant concentration of ketohydroperoxides is also formed below 500 K. Our experimental findings, compared to the simulations of an updated kinetic model, suggest that ozonolysis at low temperatures and the interaction of O atoms from the thermal decomposition of O 3 with oxidation products at high temperature are responsible for the fuel conversion enhancement by enriching the radical pool. The implications of this study spanning both combustion and atmospheric chemistry domains show that the incorporation of O 3 promises enhanced combustion fuel efficiency and strengthens its potential in optimizing fuel blends, pioneering combustion strategies, and controlling pollution.

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Chemical insight into the ozone-assisted low-temperature oxidation of propane

Zhu

Xie

et al. 2023

Combustion and Flame

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A kinetic investigation on low-temperature ignition of propane with ozone addition in an RCM

Cited by 7 publications

References 36 publications

From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane

From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane

Enhancing 1-Hexene Reactivity Under Inhibitive Temperatures Using Ozone

Chemical insight into the ozone-assisted low-temperature oxidation of propane

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