A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames

•Expansion in ammonia flames much weaker than methane.•Nitrogen oxidation stops with molecular nitrogen, minute quantities of NOx.•Low-strain flames “partially burning flames” with low Damköhler numbers. The structure of non-premixed, laminar, counterflow NH3/O2 flames was studied and compared with...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Fuel (Guildford) 2022-02, Vol.309, p.122200, Article 122200
Hauptverfasser: Yang, Wenkai, Al Khateeb, Ashraf N., Kyritsis, Dimitrios C.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue
container_start_page 122200
container_title Fuel (Guildford)
container_volume 309
creator Yang, Wenkai
Al Khateeb, Ashraf N.
Kyritsis, Dimitrios C.
description •Expansion in ammonia flames much weaker than methane.•Nitrogen oxidation stops with molecular nitrogen, minute quantities of NOx.•Low-strain flames “partially burning flames” with low Damköhler numbers. The structure of non-premixed, laminar, counterflow NH3/O2 flames was studied and compared with the structure of CH4/O2 flames. A commercially available computational tool was utilized through the introduction of ammonia and methane chemistry in order to compute the flow fields of strained flames. The tool was validated by comparing with previously published results for CH4 flames and by employing two different mechanisms for NH3 oxidation kinetics. It was shown that NH3 flames achieve lower maximum temperature and narrower high-temperature area compared to CH4 flames, which was attributed to much less heat release from the NH3 oxidization process. This is due to the fact that NH3 oxidation proceeds through a chemical path drastically different than the one of CH4 and is completed with the formation of N2 as an equilibrium product, without substantial formation of nitrogen oxides. The structure of the CH4 and NH3 flames were compared for mildly strained flames and it was shown that, despite its much slower kinetics, ammonia can sustain near-equilibrium flames, even for relatively small values of the Damköhler number.
doi_str_mv 10.1016/j.fuel.2021.122200
format Article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_2621877429</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0016236121020767</els_id><sourcerecordid>2621877429</sourcerecordid><originalsourceid>FETCH-LOGICAL-c372t-35b9b7dfbf09d736f19ee38961823ff0c67d8069d89f77cc705a85622c9796d93</originalsourceid><addsrcrecordid>eNp9kE9LxDAQxYMouK5-AU8Fz-0mk23SgJdlUVdc3IueQzZ_IKVt1qQV_fa21rOneQPvDW9-CN0SXBBM2Kou3GCbAjCQggAAxmdoQSpOc05Keo4WeHTlQBm5RFcp1RhjXpXrBXrZZDq0p6FXvQ-dan43FX0KXRZc9rqjqwNkqjPZdreeZBe6_BRt67-syRrV-k7FzI3Cpmt04VST7M3fXKL3x4e37S7fH56et5t9rimHPqflURy5cUeHheGUOSKspZVgpALqHNaMmwozYSrhONea41JVJQPQggtmBF2iu_nuKYaPwaZe1mGIY_kkgcH4NV_D5ILZpWNIKVonT9G3Kn5LguUETdZygiYnaHKGNobu55Ad-396G2XS3nbaGh-t7qUJ_r_4D6WXcqM</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2621877429</pqid></control><display><type>article</type><title>A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames</title><source>Elsevier ScienceDirect Journals</source><creator>Yang, Wenkai ; Al Khateeb, Ashraf N. ; Kyritsis, Dimitrios C.</creator><creatorcontrib>Yang, Wenkai ; Al Khateeb, Ashraf N. ; Kyritsis, Dimitrios C.</creatorcontrib><description>•Expansion in ammonia flames much weaker than methane.•Nitrogen oxidation stops with molecular nitrogen, minute quantities of NOx.•Low-strain flames “partially burning flames” with low Damköhler numbers. The structure of non-premixed, laminar, counterflow NH3/O2 flames was studied and compared with the structure of CH4/O2 flames. A commercially available computational tool was utilized through the introduction of ammonia and methane chemistry in order to compute the flow fields of strained flames. The tool was validated by comparing with previously published results for CH4 flames and by employing two different mechanisms for NH3 oxidation kinetics. It was shown that NH3 flames achieve lower maximum temperature and narrower high-temperature area compared to CH4 flames, which was attributed to much less heat release from the NH3 oxidization process. This is due to the fact that NH3 oxidation proceeds through a chemical path drastically different than the one of CH4 and is completed with the formation of N2 as an equilibrium product, without substantial formation of nitrogen oxides. The structure of the CH4 and NH3 flames were compared for mildly strained flames and it was shown that, despite its much slower kinetics, ammonia can sustain near-equilibrium flames, even for relatively small values of the Damköhler number.</description><identifier>ISSN: 0016-2361</identifier><identifier>EISSN: 1873-7153</identifier><identifier>DOI: 10.1016/j.fuel.2021.122200</identifier><language>eng</language><publisher>Kidlington: Elsevier Ltd</publisher><subject>Ammonia ; Atmospheric chemistry ; Computer applications ; Counterflow ; Counterflow flames ; Damköhler number ; Flames ; Heat transfer ; High temperature ; Kinetics ; Methane ; Nitrogen oxides ; Non-premixed flames ; Oxidation ; Photochemicals ; Reaction kinetics ; Software</subject><ispartof>Fuel (Guildford), 2022-02, Vol.309, p.122200, Article 122200</ispartof><rights>2021 The Author(s)</rights><rights>Copyright Elsevier BV Feb 1, 2022</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c372t-35b9b7dfbf09d736f19ee38961823ff0c67d8069d89f77cc705a85622c9796d93</citedby><cites>FETCH-LOGICAL-c372t-35b9b7dfbf09d736f19ee38961823ff0c67d8069d89f77cc705a85622c9796d93</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0016236121020767$$EHTML$$P50$$Gelsevier$$Hfree_for_read</linktohtml><link.rule.ids>314,776,780,3537,27903,27904,65309</link.rule.ids></links><search><creatorcontrib>Yang, Wenkai</creatorcontrib><creatorcontrib>Al Khateeb, Ashraf N.</creatorcontrib><creatorcontrib>Kyritsis, Dimitrios C.</creatorcontrib><title>A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames</title><title>Fuel (Guildford)</title><description>•Expansion in ammonia flames much weaker than methane.•Nitrogen oxidation stops with molecular nitrogen, minute quantities of NOx.•Low-strain flames “partially burning flames” with low Damköhler numbers. The structure of non-premixed, laminar, counterflow NH3/O2 flames was studied and compared with the structure of CH4/O2 flames. A commercially available computational tool was utilized through the introduction of ammonia and methane chemistry in order to compute the flow fields of strained flames. The tool was validated by comparing with previously published results for CH4 flames and by employing two different mechanisms for NH3 oxidation kinetics. It was shown that NH3 flames achieve lower maximum temperature and narrower high-temperature area compared to CH4 flames, which was attributed to much less heat release from the NH3 oxidization process. This is due to the fact that NH3 oxidation proceeds through a chemical path drastically different than the one of CH4 and is completed with the formation of N2 as an equilibrium product, without substantial formation of nitrogen oxides. The structure of the CH4 and NH3 flames were compared for mildly strained flames and it was shown that, despite its much slower kinetics, ammonia can sustain near-equilibrium flames, even for relatively small values of the Damköhler number.</description><subject>Ammonia</subject><subject>Atmospheric chemistry</subject><subject>Computer applications</subject><subject>Counterflow</subject><subject>Counterflow flames</subject><subject>Damköhler number</subject><subject>Flames</subject><subject>Heat transfer</subject><subject>High temperature</subject><subject>Kinetics</subject><subject>Methane</subject><subject>Nitrogen oxides</subject><subject>Non-premixed flames</subject><subject>Oxidation</subject><subject>Photochemicals</subject><subject>Reaction kinetics</subject><subject>Software</subject><issn>0016-2361</issn><issn>1873-7153</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LxDAQxYMouK5-AU8Fz-0mk23SgJdlUVdc3IueQzZ_IKVt1qQV_fa21rOneQPvDW9-CN0SXBBM2Kou3GCbAjCQggAAxmdoQSpOc05Keo4WeHTlQBm5RFcp1RhjXpXrBXrZZDq0p6FXvQ-dan43FX0KXRZc9rqjqwNkqjPZdreeZBe6_BRt67-syRrV-k7FzI3Cpmt04VST7M3fXKL3x4e37S7fH56et5t9rimHPqflURy5cUeHheGUOSKspZVgpALqHNaMmwozYSrhONea41JVJQPQggtmBF2iu_nuKYaPwaZe1mGIY_kkgcH4NV_D5ILZpWNIKVonT9G3Kn5LguUETdZygiYnaHKGNobu55Ad-396G2XS3nbaGh-t7qUJ_r_4D6WXcqM</recordid><startdate>20220201</startdate><enddate>20220201</enddate><creator>Yang, Wenkai</creator><creator>Al Khateeb, Ashraf N.</creator><creator>Kyritsis, Dimitrios C.</creator><general>Elsevier Ltd</general><general>Elsevier BV</general><scope>6I.</scope><scope>AAFTH</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7T7</scope><scope>7TA</scope><scope>7TB</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope></search><sort><creationdate>20220201</creationdate><title>A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames</title><author>Yang, Wenkai ; Al Khateeb, Ashraf N. ; Kyritsis, Dimitrios C.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c372t-35b9b7dfbf09d736f19ee38961823ff0c67d8069d89f77cc705a85622c9796d93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Ammonia</topic><topic>Atmospheric chemistry</topic><topic>Computer applications</topic><topic>Counterflow</topic><topic>Counterflow flames</topic><topic>Damköhler number</topic><topic>Flames</topic><topic>Heat transfer</topic><topic>High temperature</topic><topic>Kinetics</topic><topic>Methane</topic><topic>Nitrogen oxides</topic><topic>Non-premixed flames</topic><topic>Oxidation</topic><topic>Photochemicals</topic><topic>Reaction kinetics</topic><topic>Software</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yang, Wenkai</creatorcontrib><creatorcontrib>Al Khateeb, Ashraf N.</creatorcontrib><creatorcontrib>Kyritsis, Dimitrios C.</creatorcontrib><collection>ScienceDirect Open Access Titles</collection><collection>Elsevier:ScienceDirect:Open Access</collection><collection>CrossRef</collection><collection>Aluminium Industry Abstracts</collection><collection>Biotechnology Research Abstracts</collection><collection>Ceramic Abstracts</collection><collection>Computer and Information Systems Abstracts</collection><collection>Corrosion Abstracts</collection><collection>Electronics &amp; Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Materials Business File</collection><collection>Mechanical &amp; Transportation Engineering Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ANTE: Abstracts in New Technology &amp; Engineering</collection><collection>Engineering Research Database</collection><collection>Aerospace Database</collection><collection>Copper Technical Reference Library</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Civil Engineering Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts – Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><collection>Biotechnology and BioEngineering Abstracts</collection><jtitle>Fuel (Guildford)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yang, Wenkai</au><au>Al Khateeb, Ashraf N.</au><au>Kyritsis, Dimitrios C.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames</atitle><jtitle>Fuel (Guildford)</jtitle><date>2022-02-01</date><risdate>2022</risdate><volume>309</volume><spage>122200</spage><pages>122200-</pages><artnum>122200</artnum><issn>0016-2361</issn><eissn>1873-7153</eissn><abstract>•Expansion in ammonia flames much weaker than methane.•Nitrogen oxidation stops with molecular nitrogen, minute quantities of NOx.•Low-strain flames “partially burning flames” with low Damköhler numbers. The structure of non-premixed, laminar, counterflow NH3/O2 flames was studied and compared with the structure of CH4/O2 flames. A commercially available computational tool was utilized through the introduction of ammonia and methane chemistry in order to compute the flow fields of strained flames. The tool was validated by comparing with previously published results for CH4 flames and by employing two different mechanisms for NH3 oxidation kinetics. It was shown that NH3 flames achieve lower maximum temperature and narrower high-temperature area compared to CH4 flames, which was attributed to much less heat release from the NH3 oxidization process. This is due to the fact that NH3 oxidation proceeds through a chemical path drastically different than the one of CH4 and is completed with the formation of N2 as an equilibrium product, without substantial formation of nitrogen oxides. The structure of the CH4 and NH3 flames were compared for mildly strained flames and it was shown that, despite its much slower kinetics, ammonia can sustain near-equilibrium flames, even for relatively small values of the Damköhler number.</abstract><cop>Kidlington</cop><pub>Elsevier Ltd</pub><doi>10.1016/j.fuel.2021.122200</doi><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 0016-2361
ispartof Fuel (Guildford), 2022-02, Vol.309, p.122200, Article 122200
issn 0016-2361
1873-7153
language eng
recordid cdi_proquest_journals_2621877429
source Elsevier ScienceDirect Journals
subjects Ammonia
Atmospheric chemistry
Computer applications
Counterflow
Counterflow flames
Damköhler number
Flames
Heat transfer
High temperature
Kinetics
Methane
Nitrogen oxides
Non-premixed flames
Oxidation
Photochemicals
Reaction kinetics
Software
title A computational comparison of NH3/O2 and CH4/O2 non-premixed laminar flames
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-27T15%3A19%3A10IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=A%20computational%20comparison%20of%20NH3/O2%20and%20CH4/O2%20non-premixed%20laminar%20flames&rft.jtitle=Fuel%20(Guildford)&rft.au=Yang,%20Wenkai&rft.date=2022-02-01&rft.volume=309&rft.spage=122200&rft.pages=122200-&rft.artnum=122200&rft.issn=0016-2361&rft.eissn=1873-7153&rft_id=info:doi/10.1016/j.fuel.2021.122200&rft_dat=%3Cproquest_cross%3E2621877429%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2621877429&rft_id=info:pmid/&rft_els_id=S0016236121020767&rfr_iscdi=true