Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study
In the current study, the heterogeneous reaction of NO2 with soot and biosoot surfaces was investigated in the dark and under illumination relevant to atmospheric conditions (J NO2 = 0.012 s–1). A flat-flame burner was used for preparation and collection of soot samples from premixed flames of liqui...
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| Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (10), p.2006-2015 |
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| container_title | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory |
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| creator | Romanías, Manolis N Dagaut, Philippe Bedjanian, Yuri Andrade-Eiroa, Auréa Shahla, Roya Emmanouil, Karafas S Papadimitriou, Vassileios C Spyros, Apostolos |
| description | In the current study, the heterogeneous reaction of NO2 with soot and biosoot surfaces was investigated in the dark and under illumination relevant to atmospheric conditions (J NO2 = 0.012 s–1). A flat-flame burner was used for preparation and collection of soot samples from premixed flames of liquid fuels. The biofuels were prepared by mixing 20% v/v of (i) 1-butanol (CH3(CH2)3OH), (ii) methyl octanoate (CH3(CH2)6COOCH3), (iii) anhydrous diethyl carbonate (C2H5O)2CO and (iv) 2,5 dimethyl furan (CH3)2C4H2O additive compounds in conventional kerosene fuel (JetA-1). Experiments were performed at 293 K using a low-pressure flow tube reactor (P = 9 Torr) coupled to a quadrupole mass spectrometer. The initial and steady-state uptake coefficients, γ0 and γss, respectively, as well as the surface coverage, N s, were measured under dry and humid conditions. Furthermore, the branching ratios of the gas-phase products NO (∼80–100%) and HONO ( |
| doi_str_mv | 10.1021/jp511468t |
| format | Article |
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A Kinetic and Product Study</title><source>MEDLINE</source><source>American Chemical Society Journals</source><creator>Romanías, Manolis N ; Dagaut, Philippe ; Bedjanian, Yuri ; Andrade-Eiroa, Auréa ; Shahla, Roya ; Emmanouil, Karafas S ; Papadimitriou, Vassileios C ; Spyros, Apostolos</creator><creatorcontrib>Romanías, Manolis N ; Dagaut, Philippe ; Bedjanian, Yuri ; Andrade-Eiroa, Auréa ; Shahla, Roya ; Emmanouil, Karafas S ; Papadimitriou, Vassileios C ; Spyros, Apostolos</creatorcontrib><description>In the current study, the heterogeneous reaction of NO2 with soot and biosoot surfaces was investigated in the dark and under illumination relevant to atmospheric conditions (J NO2 = 0.012 s–1). A flat-flame burner was used for preparation and collection of soot samples from premixed flames of liquid fuels. The biofuels were prepared by mixing 20% v/v of (i) 1-butanol (CH3(CH2)3OH), (ii) methyl octanoate (CH3(CH2)6COOCH3), (iii) anhydrous diethyl carbonate (C2H5O)2CO and (iv) 2,5 dimethyl furan (CH3)2C4H2O additive compounds in conventional kerosene fuel (JetA-1). Experiments were performed at 293 K using a low-pressure flow tube reactor (P = 9 Torr) coupled to a quadrupole mass spectrometer. The initial and steady-state uptake coefficients, γ0 and γss, respectively, as well as the surface coverage, N s, were measured under dry and humid conditions. Furthermore, the branching ratios of the gas-phase products NO (∼80–100%) and HONO (<20%) were determined. Soot from JetA-1/2,5-dimethyl furan was the most reactive [γ0 = (29.1 ± 5.8) × 10−6, γss(dry) = (9.09 ± 1.82) × 10−7 and γss(5.5%RH) = (14.0 ± 2.8)−7] while soot from JetA-1/1-butanol [γ0 = (2.72 ± 0.544) × 10–6, γss(dry) = (4.57 ± 0.914) × 10–7, and γss(5.5%RH) = (3.64 ± 0.728) × 10–7] and JetA-1/diethyl carbonate [γ0 = (2.99 ± 0.598) × 10–6, γss(dry) = (3.99 ± 0.798) × 10–7, and γss(5.5%RH) = (4.80 ± 0.960) × 10–7] were less reactive. To correlate the chemical reactivity with the physicochemical properties of the soot samples, their chemical composition was analyzed employing Raman spectroscopy, NMR, and high-performance liquid chromatography. In addition, the Brunauer–Emmett–Teller adsorption isotherms and the particle size distributions were determined employing a Quantachrome Nova 2200e gas sorption analyzer. The analysis of the results showed that factors such as (i) soot mass collection rate, (ii) porosity of the particles formed, (iii) aromatic fraction, and (iv) pre-existence of nitro-containing species in soot samples (formed during the combustion process) can be used as indicators of soot reactivity with NO2.</description><identifier>ISSN: 1089-5639</identifier><identifier>EISSN: 1520-5215</identifier><identifier>DOI: 10.1021/jp511468t</identifier><identifier>PMID: 25686032</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Biofuels ; Kinetics ; Models, Molecular ; Molecular Conformation ; Nitrogen Dioxide - chemistry ; Photochemical Processes ; Porosity ; Soot - chemistry ; Surface Properties</subject><ispartof>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (10), p.2006-2015</ispartof><rights>Copyright © 2015 American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/jp511468t$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/jp511468t$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,780,784,27076,27924,27925,56738,56788</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/25686032$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Romanías, Manolis N</creatorcontrib><creatorcontrib>Dagaut, Philippe</creatorcontrib><creatorcontrib>Bedjanian, Yuri</creatorcontrib><creatorcontrib>Andrade-Eiroa, Auréa</creatorcontrib><creatorcontrib>Shahla, Roya</creatorcontrib><creatorcontrib>Emmanouil, Karafas S</creatorcontrib><creatorcontrib>Papadimitriou, Vassileios C</creatorcontrib><creatorcontrib>Spyros, Apostolos</creatorcontrib><title>Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study</title><title>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</title><addtitle>J. Phys. Chem. A</addtitle><description>In the current study, the heterogeneous reaction of NO2 with soot and biosoot surfaces was investigated in the dark and under illumination relevant to atmospheric conditions (J NO2 = 0.012 s–1). A flat-flame burner was used for preparation and collection of soot samples from premixed flames of liquid fuels. The biofuels were prepared by mixing 20% v/v of (i) 1-butanol (CH3(CH2)3OH), (ii) methyl octanoate (CH3(CH2)6COOCH3), (iii) anhydrous diethyl carbonate (C2H5O)2CO and (iv) 2,5 dimethyl furan (CH3)2C4H2O additive compounds in conventional kerosene fuel (JetA-1). Experiments were performed at 293 K using a low-pressure flow tube reactor (P = 9 Torr) coupled to a quadrupole mass spectrometer. The initial and steady-state uptake coefficients, γ0 and γss, respectively, as well as the surface coverage, N s, were measured under dry and humid conditions. Furthermore, the branching ratios of the gas-phase products NO (∼80–100%) and HONO (<20%) were determined. Soot from JetA-1/2,5-dimethyl furan was the most reactive [γ0 = (29.1 ± 5.8) × 10−6, γss(dry) = (9.09 ± 1.82) × 10−7 and γss(5.5%RH) = (14.0 ± 2.8)−7] while soot from JetA-1/1-butanol [γ0 = (2.72 ± 0.544) × 10–6, γss(dry) = (4.57 ± 0.914) × 10–7, and γss(5.5%RH) = (3.64 ± 0.728) × 10–7] and JetA-1/diethyl carbonate [γ0 = (2.99 ± 0.598) × 10–6, γss(dry) = (3.99 ± 0.798) × 10–7, and γss(5.5%RH) = (4.80 ± 0.960) × 10–7] were less reactive. To correlate the chemical reactivity with the physicochemical properties of the soot samples, their chemical composition was analyzed employing Raman spectroscopy, NMR, and high-performance liquid chromatography. In addition, the Brunauer–Emmett–Teller adsorption isotherms and the particle size distributions were determined employing a Quantachrome Nova 2200e gas sorption analyzer. The analysis of the results showed that factors such as (i) soot mass collection rate, (ii) porosity of the particles formed, (iii) aromatic fraction, and (iv) pre-existence of nitro-containing species in soot samples (formed during the combustion process) can be used as indicators of soot reactivity with NO2.</description><subject>Biofuels</subject><subject>Kinetics</subject><subject>Models, Molecular</subject><subject>Molecular Conformation</subject><subject>Nitrogen Dioxide - chemistry</subject><subject>Photochemical Processes</subject><subject>Porosity</subject><subject>Soot - chemistry</subject><subject>Surface Properties</subject><issn>1089-5639</issn><issn>1520-5215</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNo9kctOwzAQRS0EorwW_ADyBolNih3HTrqE8qqoaEXLOnLsCXWVxMV2irrg30nVwmquNGdGc-cidElJn5KY3i5XnNJEZOEAnVAek4jHlB92mmSDiAs26KFT75eEEMri5Bj1Yi4yQVh8gn5GzRp8MJ8yGNtgW-KwADxd2GDVAmqjZIXfQapg1iZstv2ZtQFPpQtGVeDxAzizBo1LZ2t8b2zZQuXx3H5Lp_HbJO7jO_xqGuhwLBuNp87qVgU8C63enKOjUlYeLvb1DH08Pc6HL9F48jwa3o0jSbkIEStKyUVaJDpVqhhkOoWC8ASYShOSKJ4IkZECiFJaFWnGyqQUpQQabweoYOwM3ez2rpz9aju_eW28gqqSDdjW51QIJjhP2Ra92qNtUYPOV87U0m3yv5d1wPUOkMrnS9u6prs8pyTfRpH_R8F-ATleefU</recordid><startdate>20150312</startdate><enddate>20150312</enddate><creator>Romanías, Manolis N</creator><creator>Dagaut, Philippe</creator><creator>Bedjanian, Yuri</creator><creator>Andrade-Eiroa, Auréa</creator><creator>Shahla, Roya</creator><creator>Emmanouil, Karafas S</creator><creator>Papadimitriou, Vassileios C</creator><creator>Spyros, Apostolos</creator><general>American Chemical Society</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>7X8</scope></search><sort><creationdate>20150312</creationdate><title>Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study</title><author>Romanías, Manolis N ; Dagaut, Philippe ; Bedjanian, Yuri ; Andrade-Eiroa, Auréa ; Shahla, Roya ; Emmanouil, Karafas S ; Papadimitriou, Vassileios C ; Spyros, Apostolos</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a156t-3bfa567b4d7ccb98d7eb054e3c7404c546680be0ccdcb783f4f6fae124d7c1633</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Biofuels</topic><topic>Kinetics</topic><topic>Models, Molecular</topic><topic>Molecular Conformation</topic><topic>Nitrogen Dioxide - chemistry</topic><topic>Photochemical Processes</topic><topic>Porosity</topic><topic>Soot - chemistry</topic><topic>Surface Properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Romanías, Manolis N</creatorcontrib><creatorcontrib>Dagaut, Philippe</creatorcontrib><creatorcontrib>Bedjanian, Yuri</creatorcontrib><creatorcontrib>Andrade-Eiroa, Auréa</creatorcontrib><creatorcontrib>Shahla, Roya</creatorcontrib><creatorcontrib>Emmanouil, Karafas S</creatorcontrib><creatorcontrib>Papadimitriou, Vassileios C</creatorcontrib><creatorcontrib>Spyros, Apostolos</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>MEDLINE - Academic</collection><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Romanías, Manolis N</au><au>Dagaut, Philippe</au><au>Bedjanian, Yuri</au><au>Andrade-Eiroa, Auréa</au><au>Shahla, Roya</au><au>Emmanouil, Karafas S</au><au>Papadimitriou, Vassileios C</au><au>Spyros, Apostolos</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study</atitle><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle><addtitle>J. Phys. Chem. A</addtitle><date>2015-03-12</date><risdate>2015</risdate><volume>119</volume><issue>10</issue><spage>2006</spage><epage>2015</epage><pages>2006-2015</pages><issn>1089-5639</issn><eissn>1520-5215</eissn><abstract>In the current study, the heterogeneous reaction of NO2 with soot and biosoot surfaces was investigated in the dark and under illumination relevant to atmospheric conditions (J NO2 = 0.012 s–1). A flat-flame burner was used for preparation and collection of soot samples from premixed flames of liquid fuels. The biofuels were prepared by mixing 20% v/v of (i) 1-butanol (CH3(CH2)3OH), (ii) methyl octanoate (CH3(CH2)6COOCH3), (iii) anhydrous diethyl carbonate (C2H5O)2CO and (iv) 2,5 dimethyl furan (CH3)2C4H2O additive compounds in conventional kerosene fuel (JetA-1). Experiments were performed at 293 K using a low-pressure flow tube reactor (P = 9 Torr) coupled to a quadrupole mass spectrometer. The initial and steady-state uptake coefficients, γ0 and γss, respectively, as well as the surface coverage, N s, were measured under dry and humid conditions. Furthermore, the branching ratios of the gas-phase products NO (∼80–100%) and HONO (<20%) were determined. Soot from JetA-1/2,5-dimethyl furan was the most reactive [γ0 = (29.1 ± 5.8) × 10−6, γss(dry) = (9.09 ± 1.82) × 10−7 and γss(5.5%RH) = (14.0 ± 2.8)−7] while soot from JetA-1/1-butanol [γ0 = (2.72 ± 0.544) × 10–6, γss(dry) = (4.57 ± 0.914) × 10–7, and γss(5.5%RH) = (3.64 ± 0.728) × 10–7] and JetA-1/diethyl carbonate [γ0 = (2.99 ± 0.598) × 10–6, γss(dry) = (3.99 ± 0.798) × 10–7, and γss(5.5%RH) = (4.80 ± 0.960) × 10–7] were less reactive. To correlate the chemical reactivity with the physicochemical properties of the soot samples, their chemical composition was analyzed employing Raman spectroscopy, NMR, and high-performance liquid chromatography. In addition, the Brunauer–Emmett–Teller adsorption isotherms and the particle size distributions were determined employing a Quantachrome Nova 2200e gas sorption analyzer. The analysis of the results showed that factors such as (i) soot mass collection rate, (ii) porosity of the particles formed, (iii) aromatic fraction, and (iv) pre-existence of nitro-containing species in soot samples (formed during the combustion process) can be used as indicators of soot reactivity with NO2.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>25686032</pmid><doi>10.1021/jp511468t</doi><tpages>10</tpages></addata></record> |
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| subjects | Biofuels Kinetics Models, Molecular Molecular Conformation Nitrogen Dioxide - chemistry Photochemical Processes Porosity Soot - chemistry Surface Properties |
| title | Investigation of the Photochemical Reactivity of Soot Particles Derived from Biofuels Toward NO2. A Kinetic and Product Study |
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