A Compact Reaction Mechanism of Methane Oxidation at High Pressures

IF 2.1 4区 化学 Q3 CHEMISTRY, PHYSICAL
V. Zhukov, Alan Kong
{"title":"A Compact Reaction Mechanism of Methane Oxidation at High Pressures","authors":"V. Zhukov, Alan Kong","doi":"10.3184/146867818X15066862094914","DOIUrl":null,"url":null,"abstract":"A skeletal methane kinetic mechanism is developed for conditions relating to the combustion of undiluted methane–oxygen mixtures at high pressures. The new skeletal mechanism is based on the detailed mechanism of oxidation of alkanes by Zhukov (2009). The skeletal model has been created by eliminating unimportant species and reactions from the detailed mechanism. The reduction technique is based on the reaction path and sensitivity analyses. They allow one to determine the reactions and species that play important roles in combustion in rocket combustion chambers. The skeletal mechanism consists of 23 species and 51 reactions. The final and intermediate versions of the skeletal mechanism are compared with the parent detailed mechanism, with other reduced kinetic models and with experimental data on the ignition of methane at high pressures. This comparison shows that the developed skeletal mechanism has a better performance than other kinetic mechanisms in terms of accuracy and required computational power.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"22 1","pages":"62 - 78"},"PeriodicalIF":2.1000,"publicationDate":"2018-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"23","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Progress in Reaction Kinetics and Mechanism","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3184/146867818X15066862094914","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 23

Abstract

A skeletal methane kinetic mechanism is developed for conditions relating to the combustion of undiluted methane–oxygen mixtures at high pressures. The new skeletal mechanism is based on the detailed mechanism of oxidation of alkanes by Zhukov (2009). The skeletal model has been created by eliminating unimportant species and reactions from the detailed mechanism. The reduction technique is based on the reaction path and sensitivity analyses. They allow one to determine the reactions and species that play important roles in combustion in rocket combustion chambers. The skeletal mechanism consists of 23 species and 51 reactions. The final and intermediate versions of the skeletal mechanism are compared with the parent detailed mechanism, with other reduced kinetic models and with experimental data on the ignition of methane at high pressures. This comparison shows that the developed skeletal mechanism has a better performance than other kinetic mechanisms in terms of accuracy and required computational power.
高压下甲烷氧化的紧凑反应机理
骨架甲烷动力学机制,开发有关条件下燃烧未稀释的甲烷-氧混合物在高压。新的骨架机理是在Zhukov(2009)详细阐述烷烃氧化机理的基础上提出的。骨架模型是通过从详细机理中剔除不重要的物种和反应而建立的。该还原技术基于反应路径和灵敏度分析。它们使人们能够确定在火箭燃烧室的燃烧中起重要作用的反应和物质。骨架机制由23种物质和51种反应组成。将骨架机制的最终版本和中间版本与母体详细机制、其他简化动力学模型以及高压下甲烷点火的实验数据进行了比较。对比表明,所开发的骨架机构在精度和所需的计算能力方面都优于其他动力学机构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
2.10
自引率
0.00%
发文量
5
审稿时长
2.3 months
期刊介绍: The journal covers the fields of kinetics and mechanisms of chemical processes in the gas phase and solution of both simple and complex systems.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信