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Kinetic development of low-temperature propane oxidation in a repetitively-pulsed nanosecond discharge

IF 5.8 2区工程技术 Q2 ENERGY & FUELS

Combustion and Flame Pub Date : 2025-02-11 DOI:10.1016/j.combustflame.2025.114023

Zhenyang Li , Bo Yin , Qifu Lin , Yifei Zhu , Yun Wu

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The electron impact reaction rate of propane dissociation and some combustion chemical reactions rate constants are updated according to the nCD and DBD experiment results, and uncertainty of the reactions are analyzed in detail. Compared to the existing model, the updated model’s prediction accuracy has great improvement in species <math><mrow><msub><mrow><mi>H</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>O</mi></mrow></math>, <math><mrow><mi>C</mi><msub><mrow><mi>O</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>, <math><mrow><mi>C</mi><msub><mrow><mi>H</mi></mrow><mrow><mn>4</mn></mrow></msub></mrow></math>, <math><mrow><mi>C</mi><msub><mrow><mi>H</mi></mrow><mrow><mn>2</mn></mrow></msub><mi>O</mi></mrow></math>, <math><mrow><mi>C</mi><msub><mrow><mi>H</mi></mrow><mrow><mn>3</mn></mrow></msub><mi>O</mi><mi>H</mi></mrow></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>6</mn></mrow></msub></mrow></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>5</mn></mrow></msub><mi>O</mi><mi>H</mi></mrow></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>5</mn></mrow></msub><mi>O</mi><mi>O</mi><mi>H</mi></mrow></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>4</mn></mrow></msub></mrow></math>-<math><mi>A</mi></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>4</mn></mrow></msub></mrow></math>-<math><mi>P</mi></math>, <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>5</mn></mrow></msub><mi>C</mi><mi>H</mi><mi>O</mi></mrow></math>, <math><mi>i</mi></math>-<math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>7</mn></mrow></msub><mi>O</mi><mi>H</mi></mrow></math> and <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>7</mn></mrow></msub><mi>O</mi><mi>O</mi><mi>H</mi></mrow></math>. The propane oxidation processes assisted by DBD and nCD were compared under different single pulse deposited energy (SPDE) conditions while maintaining the same total deposited energy. The reduced electric field in nCD is concentrated at 150-200 Td and 450-500 Td, whereas in DBD it ranges from 1-100 Td and 260-380 Td. Notably, for nCD at different voltages with a similar reduced electric field distribution, SPDE shows minimal influence on the <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>8</mn></mrow></msub></mrow></math> oxidation process, which is primarily governed by total deposited energy. nCD is more effective discharge form for contribute to <math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>3</mn></mrow></msub><msub><mrow><mi>H</mi></mrow><mrow><mn>8</mn></mrow></msub></mrow></math> dissociation compared to DBD.</div><div>Novelty and significance statement</div><div>The study of plasma assisted fuel conversion and efficient combustion requires precise data on plasma chemistry and combustion chemical reaction kinetics. However, the computational complexity of excited state reaction kinetics data based on first principles is enormous, resulting in a scarcity of relevant basic data. Propane, as a relatively large molecule, is an important object for studying its low-temperature oxidation pathway in plasma ignition and combustion assistance. The research that was lacking in the early stage mainly used analogy estimation and limited experimental research on a few reactions. In this work we revised the reaction kinetics mechanism of propane low-temperature oxidation reaction by constructing two independent experiments, and discussed the general effects of energy deposition and electric field (which are the key parameters of a plasma system) on propane plasma low-temperature oxidation. This study can serve as a foundation and reference for studying plasma pyrolysis of macromolecular fuels.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"274 ","pages":"Article 114023"},"PeriodicalIF":5.8000,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Combustion and Flame","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010218025000616","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}

引用次数: 0

Abstract

The kinetics of plasma assisted low temperature oxidation of

C_{3} H_{8} / O_{2} / A r

mixtures have been studied in a wide specific deposited energy with the help of nanosecond repetitively pulsed discharge. Two types of nanosecond pulsed plasma sources, the nanosecond capillary discharge (nCD) and dielectric barrier discharge (DBD) combined with the synchrotron photoionization mass spectrometry are investigated. The electron impact reaction rate of propane dissociation and some combustion chemical reactions rate constants are updated according to the nCD and DBD experiment results, and uncertainty of the reactions are analyzed in detail. Compared to the existing model, the updated model’s prediction accuracy has great improvement in species

H_{2} O

C O_{2}

C H_{4}

C H_{2} O

C H_{3} O H

C_{2} H_{2}

C_{2} H_{6}

C_{2} H_{5} O H

C_{2} H_{5} O O H

C_{3} H_{4}

A

C_{3} H_{4}

P

C_{2} H_{5} C H O

i

C_{3} H_{7} O H

and

C_{3} H_{7} O O H

. The propane oxidation processes assisted by DBD and nCD were compared under different single pulse deposited energy (SPDE) conditions while maintaining the same total deposited energy. The reduced electric field in nCD is concentrated at 150-200 Td and 450-500 Td, whereas in DBD it ranges from 1-100 Td and 260-380 Td. Notably, for nCD at different voltages with a similar reduced electric field distribution, SPDE shows minimal influence on the

C_{3} H_{8}

oxidation process, which is primarily governed by total deposited energy. nCD is more effective discharge form for contribute to

C_{3} H_{8}

dissociation compared to DBD.

Novelty and significance statement

The study of plasma assisted fuel conversion and efficient combustion requires precise data on plasma chemistry and combustion chemical reaction kinetics. However, the computational complexity of excited state reaction kinetics data based on first principles is enormous, resulting in a scarcity of relevant basic data. Propane, as a relatively large molecule, is an important object for studying its low-temperature oxidation pathway in plasma ignition and combustion assistance. The research that was lacking in the early stage mainly used analogy estimation and limited experimental research on a few reactions. In this work we revised the reaction kinetics mechanism of propane low-temperature oxidation reaction by constructing two independent experiments, and discussed the general effects of energy deposition and electric field (which are the key parameters of a plasma system) on propane plasma low-temperature oxidation. This study can serve as a foundation and reference for studying plasma pyrolysis of macromolecular fuels.

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来源期刊

Combustion and Flame 工程技术-工程：化工

CiteScore

9.50

自引率

20.50%

发文量

631

审稿时长

3.8 months

期刊介绍： The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on: Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including: Conventional, alternative and surrogate fuels; Pollutants; Particulate and aerosol formation and abatement; Heterogeneous processes. Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including: Premixed and non-premixed flames; Ignition and extinction phenomena; Flame propagation; Flame structure; Instabilities and swirl; Flame spread; Multi-phase reactants. Advances in diagnostic and computational methods in combustion, including: Measurement and simulation of scalar and vector properties; Novel techniques; State-of-the art applications. Fundamental investigations of combustion technologies and systems, including: Internal combustion engines; Gas turbines; Small- and large-scale stationary combustion and power generation; Catalytic combustion; Combustion synthesis; Combustion under extreme conditions; New concepts.