Kinetics of Ethylene Glycol: The first validated reaction scheme and first measurements of ignition delay times and speciation data
The reaction kinetics of Ethylene Glycol (EG) is studied, due to its similarity in chemical composition and physical properties, as a model fuel for pyrolysis oil. Recently, the combination of fast pyrolysis of residual biomass and subsequent gasification of the pyrolysis oil has gained high interes...
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Veröffentlicht in: | Combustion and flame 2017-05, Vol.179, p.172-184 |
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description | The reaction kinetics of Ethylene Glycol (EG) is studied, due to its similarity in chemical composition and physical properties, as a model fuel for pyrolysis oil. Recently, the combination of fast pyrolysis of residual biomass and subsequent gasification of the pyrolysis oil has gained high interest. In the gasification process, oxygen is often used as a gasifying agent (e.g. auto-thermal gasification) which led us to study EG under oxidation condition.
This study has experimental and modeling objectives: We obtain novel experimental data that we use for validation of our EG oxidation model that enable predictive modeling and optimization of gasifiers through multi-dimensional CFD simulations. Both, detailed and reduced skeletal models are obtained. The validation data needed for the model is studied in two different types of experiments namely, (1) ignition delay times obtained behind reflected shock waves in the temperature range of 800–1500K at 16bar and, (2) quantitative species profiles measured in a high temperature flow reactor setup for fuel equivalence ratios Φ=1.0 and 2.0 in the temperature range of 700–1200K. Both experiments are performed in the EG-system for the first time providing the relevant basis for the understanding on how EG decomposes and for the optimization of the reaction mechanism. The influence of different product channels on the reactivity of the EG system is investigated and leads us to pose the question, if enol can be formed in this combustion (oxidative) environment. |
doi_str_mv | 10.1016/j.combustflame.2017.01.018 |
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This study has experimental and modeling objectives: We obtain novel experimental data that we use for validation of our EG oxidation model that enable predictive modeling and optimization of gasifiers through multi-dimensional CFD simulations. Both, detailed and reduced skeletal models are obtained. The validation data needed for the model is studied in two different types of experiments namely, (1) ignition delay times obtained behind reflected shock waves in the temperature range of 800–1500K at 16bar and, (2) quantitative species profiles measured in a high temperature flow reactor setup for fuel equivalence ratios Φ=1.0 and 2.0 in the temperature range of 700–1200K. Both experiments are performed in the EG-system for the first time providing the relevant basis for the understanding on how EG decomposes and for the optimization of the reaction mechanism. The influence of different product channels on the reactivity of the EG system is investigated and leads us to pose the question, if enol can be formed in this combustion (oxidative) environment.</description><identifier>ISSN: 0010-2180</identifier><identifier>EISSN: 1556-2921</identifier><identifier>DOI: 10.1016/j.combustflame.2017.01.018</identifier><language>eng</language><publisher>New York: Elsevier Inc</publisher><subject>Antifreeze solutions ; Chemical composition ; Combustion ; Computer simulation ; Decomposition reactions ; Delay ; Detailed reaction mechanism ; Ethylene Glycol ; Flow reactor ; Fluid dynamics ; Gasification ; Ignition ; Ignition delay times ; Kinetics ; Modelling ; Nuclear fuels ; Optimization ; Oxidation ; Physical properties ; Pyrolysis ; Reaction kinetics ; Reactors ; Reduced mechanism ; Shock waves ; Similarity ; Speciation ; Studies</subject><ispartof>Combustion and flame, 2017-05, Vol.179, p.172-184</ispartof><rights>2017 The Combustion Institute</rights><rights>Copyright Elsevier BV May 2017</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c446t-986de7d627406290c45335c1df40603df7821ac1198e6db708c5b3b7f09e9f73</citedby><cites>FETCH-LOGICAL-c446t-986de7d627406290c45335c1df40603df7821ac1198e6db708c5b3b7f09e9f73</cites><orcidid>0000-0001-8682-2192</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.combustflame.2017.01.018$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids></links><search><creatorcontrib>Kathrotia, Trupti</creatorcontrib><creatorcontrib>Naumann, Clemens</creatorcontrib><creatorcontrib>Oßwald, Patrick</creatorcontrib><creatorcontrib>Köhler, Markus</creatorcontrib><creatorcontrib>Riedel, Uwe</creatorcontrib><title>Kinetics of Ethylene Glycol: The first validated reaction scheme and first measurements of ignition delay times and speciation data</title><title>Combustion and flame</title><description>The reaction kinetics of Ethylene Glycol (EG) is studied, due to its similarity in chemical composition and physical properties, as a model fuel for pyrolysis oil. Recently, the combination of fast pyrolysis of residual biomass and subsequent gasification of the pyrolysis oil has gained high interest. In the gasification process, oxygen is often used as a gasifying agent (e.g. auto-thermal gasification) which led us to study EG under oxidation condition.
This study has experimental and modeling objectives: We obtain novel experimental data that we use for validation of our EG oxidation model that enable predictive modeling and optimization of gasifiers through multi-dimensional CFD simulations. Both, detailed and reduced skeletal models are obtained. The validation data needed for the model is studied in two different types of experiments namely, (1) ignition delay times obtained behind reflected shock waves in the temperature range of 800–1500K at 16bar and, (2) quantitative species profiles measured in a high temperature flow reactor setup for fuel equivalence ratios Φ=1.0 and 2.0 in the temperature range of 700–1200K. Both experiments are performed in the EG-system for the first time providing the relevant basis for the understanding on how EG decomposes and for the optimization of the reaction mechanism. The influence of different product channels on the reactivity of the EG system is investigated and leads us to pose the question, if enol can be formed in this combustion (oxidative) environment.</description><subject>Antifreeze solutions</subject><subject>Chemical composition</subject><subject>Combustion</subject><subject>Computer simulation</subject><subject>Decomposition reactions</subject><subject>Delay</subject><subject>Detailed reaction mechanism</subject><subject>Ethylene Glycol</subject><subject>Flow reactor</subject><subject>Fluid dynamics</subject><subject>Gasification</subject><subject>Ignition</subject><subject>Ignition delay times</subject><subject>Kinetics</subject><subject>Modelling</subject><subject>Nuclear fuels</subject><subject>Optimization</subject><subject>Oxidation</subject><subject>Physical properties</subject><subject>Pyrolysis</subject><subject>Reaction kinetics</subject><subject>Reactors</subject><subject>Reduced mechanism</subject><subject>Shock waves</subject><subject>Similarity</subject><subject>Speciation</subject><subject>Studies</subject><issn>0010-2180</issn><issn>1556-2921</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNqNkMlOAzEMhiMEEqXwDhGcp9izZaY3VFaBxKX3KE0cmmqWkqSVeubFmS4HjkiWLNuff8s_Y7cIEwQs71cT3beLTYi2US1NUkAxARyiOmMjLIoySesUz9kIACFJsYJLdhXCCgBEnmUj9vPuOopOB95b_hSXu4Y64i_NTvfNlM-XxK3zIfKtapxRkQz3pHR0fceDXlJLXHXmxLSkwsYPvS4e5NxX5w6koUbteHQthQMe1qSdOo5UVNfswqom0M0pj9n8-Wk-e00-Pl_eZg8fic7zMiZ1VRoSpkxFDmVag86LLCs0GjvUkBkrqhSVRqwrKs1CQKWLRbYQFmqqrcjG7O4ou_b994ZClKt-47vhosQ6LbCoS5EN1PRIad-H4MnKtXet8juJIPeey5X867ncey4Bh6iG5cfjMg1vbB15GbSjTpNxnnSUpnf_kfkFm1aTUQ</recordid><startdate>20170501</startdate><enddate>20170501</enddate><creator>Kathrotia, Trupti</creator><creator>Naumann, Clemens</creator><creator>Oßwald, Patrick</creator><creator>Köhler, Markus</creator><creator>Riedel, Uwe</creator><general>Elsevier Inc</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7TB</scope><scope>8FD</scope><scope>FR3</scope><scope>H8D</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0001-8682-2192</orcidid></search><sort><creationdate>20170501</creationdate><title>Kinetics of Ethylene Glycol: The first validated reaction scheme and first measurements of ignition delay times and speciation data</title><author>Kathrotia, Trupti ; Naumann, Clemens ; Oßwald, Patrick ; Köhler, Markus ; Riedel, Uwe</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c446t-986de7d627406290c45335c1df40603df7821ac1198e6db708c5b3b7f09e9f73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Antifreeze solutions</topic><topic>Chemical composition</topic><topic>Combustion</topic><topic>Computer simulation</topic><topic>Decomposition reactions</topic><topic>Delay</topic><topic>Detailed reaction mechanism</topic><topic>Ethylene Glycol</topic><topic>Flow reactor</topic><topic>Fluid dynamics</topic><topic>Gasification</topic><topic>Ignition</topic><topic>Ignition delay times</topic><topic>Kinetics</topic><topic>Modelling</topic><topic>Nuclear fuels</topic><topic>Optimization</topic><topic>Oxidation</topic><topic>Physical properties</topic><topic>Pyrolysis</topic><topic>Reaction kinetics</topic><topic>Reactors</topic><topic>Reduced mechanism</topic><topic>Shock waves</topic><topic>Similarity</topic><topic>Speciation</topic><topic>Studies</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kathrotia, Trupti</creatorcontrib><creatorcontrib>Naumann, Clemens</creatorcontrib><creatorcontrib>Oßwald, Patrick</creatorcontrib><creatorcontrib>Köhler, Markus</creatorcontrib><creatorcontrib>Riedel, Uwe</creatorcontrib><collection>CrossRef</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Technology Research Database</collection><collection>Engineering Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Combustion and flame</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kathrotia, Trupti</au><au>Naumann, Clemens</au><au>Oßwald, Patrick</au><au>Köhler, Markus</au><au>Riedel, Uwe</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Kinetics of Ethylene Glycol: The first validated reaction scheme and first measurements of ignition delay times and speciation data</atitle><jtitle>Combustion and flame</jtitle><date>2017-05-01</date><risdate>2017</risdate><volume>179</volume><spage>172</spage><epage>184</epage><pages>172-184</pages><issn>0010-2180</issn><eissn>1556-2921</eissn><abstract>The reaction kinetics of Ethylene Glycol (EG) is studied, due to its similarity in chemical composition and physical properties, as a model fuel for pyrolysis oil. Recently, the combination of fast pyrolysis of residual biomass and subsequent gasification of the pyrolysis oil has gained high interest. In the gasification process, oxygen is often used as a gasifying agent (e.g. auto-thermal gasification) which led us to study EG under oxidation condition.
This study has experimental and modeling objectives: We obtain novel experimental data that we use for validation of our EG oxidation model that enable predictive modeling and optimization of gasifiers through multi-dimensional CFD simulations. Both, detailed and reduced skeletal models are obtained. The validation data needed for the model is studied in two different types of experiments namely, (1) ignition delay times obtained behind reflected shock waves in the temperature range of 800–1500K at 16bar and, (2) quantitative species profiles measured in a high temperature flow reactor setup for fuel equivalence ratios Φ=1.0 and 2.0 in the temperature range of 700–1200K. Both experiments are performed in the EG-system for the first time providing the relevant basis for the understanding on how EG decomposes and for the optimization of the reaction mechanism. The influence of different product channels on the reactivity of the EG system is investigated and leads us to pose the question, if enol can be formed in this combustion (oxidative) environment.</abstract><cop>New York</cop><pub>Elsevier Inc</pub><doi>10.1016/j.combustflame.2017.01.018</doi><tpages>13</tpages><orcidid>https://orcid.org/0000-0001-8682-2192</orcidid></addata></record> |
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subjects | Antifreeze solutions Chemical composition Combustion Computer simulation Decomposition reactions Delay Detailed reaction mechanism Ethylene Glycol Flow reactor Fluid dynamics Gasification Ignition Ignition delay times Kinetics Modelling Nuclear fuels Optimization Oxidation Physical properties Pyrolysis Reaction kinetics Reactors Reduced mechanism Shock waves Similarity Speciation Studies |
title | Kinetics of Ethylene Glycol: The first validated reaction scheme and first measurements of ignition delay times and speciation data |
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