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dc.contributor.authorDeng, Fuquan
dc.contributor.authorYang, Feiyu
dc.contributor.authorZhang, Peng
dc.contributor.authorPan, Youshun
dc.contributor.authorBugler, John
dc.contributor.authorCurran, Henry J.
dc.contributor.authorZhang, Yingjia
dc.contributor.authorHuang, Zuohua
dc.date.accessioned2017-01-25T11:14:11Z
dc.date.issued2016-05-03
dc.identifier.citationDeng, Fuquan, Yang, Feiyu, Zhang, Peng, Pan, Youshun, Bugler, John, Curran, Henry J., Zhang, Yingjia, Huang, Zuohua. (2016). Towards a kinetic understanding of the NOx promoting-effect on ignition of coalbed methane: A case study of methane/nitrogen dioxide mixtures. Fuel, 181, 188-198. doi: http://dx.doi.org/10.1016/j.fuel.2016.04.090en_IE
dc.identifier.issn1873-7153
dc.identifier.urihttp://hdl.handle.net/10379/6263
dc.description.abstractNitrogen dioxide (NO2) is an important impurity in coal-bed methane (CBM) and a dominant component of NOx pollution in practical engines. Its promoting effect on methane ignition has been studied in the current experimental and kinetic study. Ignition delay times of NO2/CH4/O-2/Ar mixtures, with blending ratios of NO2:CH4 of 30:70, 50:50 and 70:30 for stoichiometric methane mixtures were measured in a shock tube. Experiments cover a range of pressures (1.2-10.0 atm) and temperatures (933-1961 K). Under all tested pressures, NO2 addition promotes the reactivity of methane and reduces the global activation energy at all pressures, and these effects are most significant for the mixtures with highest NO2 concentrations, at the highest pressures and at the lowest temperatures. To simulate the experimental measurements, five literature NOx sub-mechanisms were integrated with AramcoMech 1.3. The simulations demonstrate that, for the mixtures with low levels of NOx concentrations, the five models agree well with the experimental ignition delay times. For the mixtures with high NOx content, however, all five models are unable to reproduce the measured data, and the level of disagreement increases with increasing NO2 concentration. An updated mechanism is proposed, based on modifications made as a result of sensitivity and reaction flux analyses performed to quantitatively determine the chemical reasons for NO2 promoting methane ignition. The results indicate that, NO2 addition perturbs the branching ratio of key reaction pathways by affecting the structure of the free radical pool at the initial ignition stage of methane oxidation. A new reaction cycle via the following sequence of reactions (C) over dotH(3) + NO2 double left right arrow CH3(O) over dot + NO, CH3(O) over dot + M double left right arrow CH2O + (H) over dot + M, NO2 + (H) over dot double left right arrow NO + (O) over dotH, and CH4 + (O) over dotOH double left right arrow (C) over dotH(3) + H2O is proposed to explain the observed effect of NO2 addition on the promotion of methane ignition. (C) 2016 Elsevier Ltd. All rights reserved.en_IE
dc.description.sponsorshipThe authors would like to acknowledge funding under the National Natural Science Foundation of China (Nos. 51206132, 91441203) and National Basic Research Program (2013CB228406). The authors also appreciate the funding support of Fundamental Research Funds for the Central Universities.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofFuelen
dc.subjectShock tubeen_IE
dc.subjectCH4en_IE
dc.subjectNO2en_IE
dc.subjectIgnition delay timeen_IE
dc.subjectKinetic modelen_IE
dc.subjectGASen_IE
dc.subjectChemistryen_IE
dc.subjectShock tube measurementsen_IE
dc.subjectHigh pressureen_IE
dc.subjectHigh temperatureen_IE
dc.subjectDelay timesen_IE
dc.subjectOxidationen_IE
dc.subjectCombustionen_IE
dc.subjectHydrogenen_IE
dc.subjectHydrocarbonsen_IE
dc.subjectEnhancementen_IE
dc.subjectGasen_IE
dc.titleTowards a kinetic understanding of the NOx promoting-effect on ignition of coalbed methane: A case study of methane/nitrogen dioxide mixturesen_IE
dc.typeArticleen_IE
dc.date.updated2017-01-24T14:43:54Z
dc.identifier.doi10.1016/j.fuel.2016.04.090
dc.local.publishedsourcehttp://dx.doi.org/10.1016/j.fuel.2016.04.090en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funder|~|
dc.description.embargo2018-05-03
dc.internal.rssid11623215
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email: henry.curran@nuigalway.ie
dc.local.copyrightcheckedNo
dc.local.versionACCEPTED
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