Combustion kinetics of alternative jet fuels, Part-II: Reaction model for fuel surrogate
•A single reaction mechanism capable to model a spectrum of different fuels, includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers.•The semi-detailed mechanism consisting 238 species and 1814 reactions is rigorously validated for multiple neat components for hy...
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| Veröffentlicht in: | Fuel (Guildford) 2021-10, Vol.302, p.120736, Article 120736 |
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| creator | Kathrotia, Trupti Oßwald, Patrick Naumann, Clemens Richter, Sandra Köhler, Markus |
| description | •A single reaction mechanism capable to model a spectrum of different fuels, includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers.•The semi-detailed mechanism consisting 238 species and 1814 reactions is rigorously validated for multiple neat components for hydrocarbon combustion.
Conventional transportation fuels used in aviation (jet fuel) or in ground transportation (gasoline, diesel) contain multitude of hydrocarbon components and are difficult to be modeled, if one has to consider each of the component present. A typical approach is the definition of a fuel surrogate with a limited number of fuel components. In this context, a single semi-detailed high temperature reaction kinetic mechanism is presented in this work, which contains all the important molecular classes required for the detailed surrogate modeling of a hydrocarbon fuel. The appeal of the mechanism is the suitability for a broad range of technical fuels covering gasoline, diesel and jet fuels. The reaction mechanism for hydrocarbon combustion is consisted of 238 species and 1814 reactions and is rigorously validated for 70 neat hydrocarbon components over a wide range of experimental conditions including combustion setups such as shock-tubes, laminar flames, jet-stirred and flow reactors.
The purpose of this study is to provide a single reaction model that (1) includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers, (2) has capability to model a spectrum of different fuels, initially aviation fuels, and (3) is compact to apply both in simple (fundamental kinetic investigations) and complex geometries (CFD studies) of combustion system enabled through customized mechanism reductions. The ultimate goal is to resolve the fuel differences using the model predictions obtained from the reaction mechanism that will supply parameters for fuel design and optimization of fuels. Extensive supporting information is available in this work. |
| doi_str_mv | 10.1016/j.fuel.2021.120736 |
| format | Article |
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Conventional transportation fuels used in aviation (jet fuel) or in ground transportation (gasoline, diesel) contain multitude of hydrocarbon components and are difficult to be modeled, if one has to consider each of the component present. A typical approach is the definition of a fuel surrogate with a limited number of fuel components. In this context, a single semi-detailed high temperature reaction kinetic mechanism is presented in this work, which contains all the important molecular classes required for the detailed surrogate modeling of a hydrocarbon fuel. The appeal of the mechanism is the suitability for a broad range of technical fuels covering gasoline, diesel and jet fuels. The reaction mechanism for hydrocarbon combustion is consisted of 238 species and 1814 reactions and is rigorously validated for 70 neat hydrocarbon components over a wide range of experimental conditions including combustion setups such as shock-tubes, laminar flames, jet-stirred and flow reactors.
The purpose of this study is to provide a single reaction model that (1) includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers, (2) has capability to model a spectrum of different fuels, initially aviation fuels, and (3) is compact to apply both in simple (fundamental kinetic investigations) and complex geometries (CFD studies) of combustion system enabled through customized mechanism reductions. The ultimate goal is to resolve the fuel differences using the model predictions obtained from the reaction mechanism that will supply parameters for fuel design and optimization of fuels. Extensive supporting information is available in this work.</description><identifier>ISSN: 0016-2361</identifier><identifier>EISSN: 1873-7153</identifier><identifier>DOI: 10.1016/j.fuel.2021.120736</identifier><language>eng</language><publisher>Kidlington: Elsevier Ltd</publisher><subject>Aviation ; Aviation fuel ; Aviation fuels ; Combustion ; Complexity ; Design optimization ; Design parameters ; Diesel fuels ; Flames ; Fuels ; Gasoline ; High temperature ; Hydrocarbon combustion ; Hydrocarbon fuels ; Hydrocarbons ; Jet engine fuels ; Laminar flow ; Nuclear fuels ; Oxygenates ; Reaction kinetics ; Reaction mechanism ; Reaction mechanisms ; Soot precursors ; Transportation ; Tubes ; Validation</subject><ispartof>Fuel (Guildford), 2021-10, Vol.302, p.120736, Article 120736</ispartof><rights>2021 Elsevier Ltd</rights><rights>Copyright Elsevier BV Oct 15, 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c372t-d5aa834987cb9de0692021c940117b857d2d7fb38f4179af792b3bd465aef5c63</citedby><cites>FETCH-LOGICAL-c372t-d5aa834987cb9de0692021c940117b857d2d7fb38f4179af792b3bd465aef5c63</cites><orcidid>0000-0002-2257-2988 ; 0000-0003-0183-1327</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.fuel.2021.120736$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,777,781,3537,27905,27906,45976</link.rule.ids></links><search><creatorcontrib>Kathrotia, Trupti</creatorcontrib><creatorcontrib>Oßwald, Patrick</creatorcontrib><creatorcontrib>Naumann, Clemens</creatorcontrib><creatorcontrib>Richter, Sandra</creatorcontrib><creatorcontrib>Köhler, Markus</creatorcontrib><title>Combustion kinetics of alternative jet fuels, Part-II: Reaction model for fuel surrogate</title><title>Fuel (Guildford)</title><description>•A single reaction mechanism capable to model a spectrum of different fuels, includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers.•The semi-detailed mechanism consisting 238 species and 1814 reactions is rigorously validated for multiple neat components for hydrocarbon combustion.
Conventional transportation fuels used in aviation (jet fuel) or in ground transportation (gasoline, diesel) contain multitude of hydrocarbon components and are difficult to be modeled, if one has to consider each of the component present. A typical approach is the definition of a fuel surrogate with a limited number of fuel components. In this context, a single semi-detailed high temperature reaction kinetic mechanism is presented in this work, which contains all the important molecular classes required for the detailed surrogate modeling of a hydrocarbon fuel. The appeal of the mechanism is the suitability for a broad range of technical fuels covering gasoline, diesel and jet fuels. The reaction mechanism for hydrocarbon combustion is consisted of 238 species and 1814 reactions and is rigorously validated for 70 neat hydrocarbon components over a wide range of experimental conditions including combustion setups such as shock-tubes, laminar flames, jet-stirred and flow reactors.
The purpose of this study is to provide a single reaction model that (1) includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers, (2) has capability to model a spectrum of different fuels, initially aviation fuels, and (3) is compact to apply both in simple (fundamental kinetic investigations) and complex geometries (CFD studies) of combustion system enabled through customized mechanism reductions. The ultimate goal is to resolve the fuel differences using the model predictions obtained from the reaction mechanism that will supply parameters for fuel design and optimization of fuels. Extensive supporting information is available in this work.</description><subject>Aviation</subject><subject>Aviation fuel</subject><subject>Aviation fuels</subject><subject>Combustion</subject><subject>Complexity</subject><subject>Design optimization</subject><subject>Design parameters</subject><subject>Diesel fuels</subject><subject>Flames</subject><subject>Fuels</subject><subject>Gasoline</subject><subject>High temperature</subject><subject>Hydrocarbon combustion</subject><subject>Hydrocarbon fuels</subject><subject>Hydrocarbons</subject><subject>Jet engine fuels</subject><subject>Laminar flow</subject><subject>Nuclear fuels</subject><subject>Oxygenates</subject><subject>Reaction kinetics</subject><subject>Reaction mechanism</subject><subject>Reaction mechanisms</subject><subject>Soot precursors</subject><subject>Transportation</subject><subject>Tubes</subject><subject>Validation</subject><issn>0016-2361</issn><issn>1873-7153</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kEtLxDAUhYMoOI7-AVcBt7bm0TatuJHBx8CAIgruQpreSGqn0SQd8N_bTl27upvznXvOQeickpQSWly1qRmgSxlhNKWMCF4coAUtBU8EzfkhWpBRlTBe0GN0EkJLCBFlni3Q-8pt6yFE63r8aXuIVgfsDFZdBN-raHeAW4h4sg-X-Fn5mKzX1_gFlN5DW9dAh43zewkOg_fuQ0U4RUdGdQHO_u4Svd3fva4ek83Tw3p1u0k0FywmTa5UybOqFLquGiBFNXXQVUYoFXWZi4Y1wtS8NBkVlTKiYjWvm6zIFZhcF3yJLmbfL---BwhRtm4Yk3dBsryglGSVqEYVm1XauxA8GPnl7Vb5H0mJnBaUrZzyy-m7nBccoZsZGqvDzoKXQVvoNTTWg46ycfY__BebkHlI</recordid><startdate>20211015</startdate><enddate>20211015</enddate><creator>Kathrotia, Trupti</creator><creator>Oßwald, Patrick</creator><creator>Naumann, Clemens</creator><creator>Richter, Sandra</creator><creator>Köhler, Markus</creator><general>Elsevier Ltd</general><general>Elsevier BV</general><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><orcidid>https://orcid.org/0000-0002-2257-2988</orcidid><orcidid>https://orcid.org/0000-0003-0183-1327</orcidid></search><sort><creationdate>20211015</creationdate><title>Combustion kinetics of alternative jet fuels, Part-II: Reaction model for fuel surrogate</title><author>Kathrotia, Trupti ; Oßwald, Patrick ; Naumann, Clemens ; Richter, Sandra ; Köhler, Markus</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c372t-d5aa834987cb9de0692021c940117b857d2d7fb38f4179af792b3bd465aef5c63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Aviation</topic><topic>Aviation fuel</topic><topic>Aviation fuels</topic><topic>Combustion</topic><topic>Complexity</topic><topic>Design optimization</topic><topic>Design parameters</topic><topic>Diesel fuels</topic><topic>Flames</topic><topic>Fuels</topic><topic>Gasoline</topic><topic>High temperature</topic><topic>Hydrocarbon combustion</topic><topic>Hydrocarbon fuels</topic><topic>Hydrocarbons</topic><topic>Jet engine fuels</topic><topic>Laminar flow</topic><topic>Nuclear fuels</topic><topic>Oxygenates</topic><topic>Reaction kinetics</topic><topic>Reaction mechanism</topic><topic>Reaction mechanisms</topic><topic>Soot precursors</topic><topic>Transportation</topic><topic>Tubes</topic><topic>Validation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kathrotia, Trupti</creatorcontrib><creatorcontrib>Oßwald, Patrick</creatorcontrib><creatorcontrib>Naumann, Clemens</creatorcontrib><creatorcontrib>Richter, Sandra</creatorcontrib><creatorcontrib>Köhler, Markus</creatorcontrib><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 & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Materials Business File</collection><collection>Mechanical & 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 & 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>Kathrotia, Trupti</au><au>Oßwald, Patrick</au><au>Naumann, Clemens</au><au>Richter, Sandra</au><au>Köhler, Markus</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Combustion kinetics of alternative jet fuels, Part-II: Reaction model for fuel surrogate</atitle><jtitle>Fuel (Guildford)</jtitle><date>2021-10-15</date><risdate>2021</risdate><volume>302</volume><spage>120736</spage><pages>120736-</pages><artnum>120736</artnum><issn>0016-2361</issn><eissn>1873-7153</eissn><abstract>•A single reaction mechanism capable to model a spectrum of different fuels, includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers.•The semi-detailed mechanism consisting 238 species and 1814 reactions is rigorously validated for multiple neat components for hydrocarbon combustion.
Conventional transportation fuels used in aviation (jet fuel) or in ground transportation (gasoline, diesel) contain multitude of hydrocarbon components and are difficult to be modeled, if one has to consider each of the component present. A typical approach is the definition of a fuel surrogate with a limited number of fuel components. In this context, a single semi-detailed high temperature reaction kinetic mechanism is presented in this work, which contains all the important molecular classes required for the detailed surrogate modeling of a hydrocarbon fuel. The appeal of the mechanism is the suitability for a broad range of technical fuels covering gasoline, diesel and jet fuels. The reaction mechanism for hydrocarbon combustion is consisted of 238 species and 1814 reactions and is rigorously validated for 70 neat hydrocarbon components over a wide range of experimental conditions including combustion setups such as shock-tubes, laminar flames, jet-stirred and flow reactors.
The purpose of this study is to provide a single reaction model that (1) includes variety of hydrocarbon molecules of varying degree of complexity and carbon numbers, (2) has capability to model a spectrum of different fuels, initially aviation fuels, and (3) is compact to apply both in simple (fundamental kinetic investigations) and complex geometries (CFD studies) of combustion system enabled through customized mechanism reductions. The ultimate goal is to resolve the fuel differences using the model predictions obtained from the reaction mechanism that will supply parameters for fuel design and optimization of fuels. Extensive supporting information is available in this work.</abstract><cop>Kidlington</cop><pub>Elsevier Ltd</pub><doi>10.1016/j.fuel.2021.120736</doi><orcidid>https://orcid.org/0000-0002-2257-2988</orcidid><orcidid>https://orcid.org/0000-0003-0183-1327</orcidid><oa>free_for_read</oa></addata></record> |
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| ispartof | Fuel (Guildford), 2021-10, Vol.302, p.120736, Article 120736 |
| issn | 0016-2361 1873-7153 |
| language | eng |
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| source | Elsevier ScienceDirect Journals |
| subjects | Aviation Aviation fuel Aviation fuels Combustion Complexity Design optimization Design parameters Diesel fuels Flames Fuels Gasoline High temperature Hydrocarbon combustion Hydrocarbon fuels Hydrocarbons Jet engine fuels Laminar flow Nuclear fuels Oxygenates Reaction kinetics Reaction mechanism Reaction mechanisms Soot precursors Transportation Tubes Validation |
| title | Combustion kinetics of alternative jet fuels, Part-II: Reaction model for fuel surrogate |
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