FT-IR and 1H NMR characterization of the products of an ethylene inverse diffusion flame

Santamarı́a, Alexander; Mondragón, Fanor; Molina, Alejandro; Marsh, Nathan D.; Eddings, Eric G.; Sarofim, Adel F.

doi:10.1016/j.combustflame.2006.04.008

Cited by 95 publications

(64 citation statements)

References 40 publications

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“…This result was in good agreement with our previous study (Han et al, 2012a). Additionally, one shoulder peak at 1386 cm À1 was attributed to the aliphatic CeH plane deformations of CH 3 group (Santamaria et al, 2006) and another shoulder peak at 1420 cm À1 was related to the in-plane OH bending mode of carboxylic acid (Smith, 1998). The peak at 1710 cm À1 in the spectra of rich flame soot was assigned to the carbonyl (C¼O) group (Han et al, 2012a ) (Kirchner et al, 2003;Niki et al, 1980;Popovicheva, 2004;Querry et al, 1974;Smith et al, 1989;Zhang et al, 1993) (referred to as sulfate species) were found in the spectra of rich flame soot and lean flame soot, which suggested that sulfate species were generated on soot.…”

Section: Functional Groups On Sootsupporting

confidence: 92%

“…1 shows the ATR-IR spectra of fresh rich flame soot and lean flame soot prepared from fuel with a variable sulfur content. The peaks and functional groups are given in Table 1 , 745 cm À1 ) (Cain et al, 2010;Han et al, 2012c;Kirchner et al, 2000;Santamaria et al, 2006;Smith and Chughtai, 1995) were observed in the spectra of soot from sulfur-free fuel. This result was in good agreement with our previous study (Han et al, 2012a).…”

Section: Functional Groups On Sootmentioning

confidence: 98%

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Influence of sulfur in fuel on the properties of diffusion flame soot

Zhao

2016

Atmospheric Environment

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h i g h l i g h t sLean flame soot was influenced more by sulfur in fuel than rich flame soot. Sulfate species were mainly formed on the surface of soot. The diameter of primary lean flame soot from high sulfur content fuel increased. The hygroscopicity of lean flame soot from high sulfur content fuel increased. a r t i c l e i n f o a b s t r a c tPrevious studies indicate that sulfur in fuel affects the hygroscopicity of soot. However, the issue of the effect of sulfur in fuel on soot properties is not fully understood. Here, the properties of soot prepared from fuel with a variable sulfur content were investigated under lean and rich flame conditions. Lean flame soot was influenced more by sulfur in fuel than rich flame soot. The majority of sulfur in fuel in lean flame was converted to gaseous SO 2 , while a small fraction appeared as sulfate and bisulfate (referred to as sulfate species) in soot. As the sulfur content in fuel increased, sulfate species in lean flame soot increased nonlinearly, while sulfate species on the surface of lean flame soot increased linearly. The hygroscopicity of lean flame soot from sulfur-containing fuel was enhanced mainly due to sulfate species. Meanwhile, more alkynes were formed in lean flame. The diameter of primary lean flame soot particles increased and accumulation mode particle number concentrations of lean flame soot from sulfurcontaining fuel increased as a result of more alkynes. Because the potential effects of soot particles on air pollution development greatly depend on the soot properties, which are related to both chemical aging and combustion conditions, this work will aid in understanding the impacts of soot on air quality and climate.

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Section: Functional Groups On Sootsupporting

confidence: 92%

Section: Functional Groups On Sootmentioning

confidence: 98%

Influence of sulfur in fuel on the properties of diffusion flame soot

Zhao

2016

Atmospheric Environment

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“…5 and reveal the richness of the vibrational bands. The band assignments are based on literature data for a-C:H (Bounouh et al 1995;Ristein et al 1998;Dartois et al 2005), soot (Galvez et al 2002;Santamaría et al 2006) and natural carbonaceous materials such as coals (Ibarra et al 1996;Geng et al 2009). The region around 3000 cm −1 corresponds to the CH stretching modes, the one around 1600 cm −1 to the C=C (sp 2 ) stretching modes, the one between 1500 and 1000 cm −1 to the CH bending and C-C (sp 3 ) stretching motions with some contributions of sp 2 C=C modes, and finally the 1000−720 cm −1 region corresponds to the CH "out-of-plane" (wagging) bending motions.…”

Section: A40 Page 4 Of 14mentioning

confidence: 99%

Nanostructuration of carbonaceous dust as seen through the positions of the 6.2 and 7.7μm AIBs

Carpentier

Féraud

Dartois

et al. 2012

A&A

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“…Previous work has suggested that oxygenated species can be attached to surfaces of soot particles of varying maturity emitted from flames and diesel engines, even before atmospheric processing (24)(25)(26)(27)(28)(29)(30)(31)(32). Functional groups that have been identified include alcohols/enols, carbonyls, peroxies, and ethers.…”

mentioning

confidence: 99%

Formation and emission of large furans and oxygenated hydrocarbons from flames

Johansson

Dillstrom

Monti

et al. 2016

Proc. Natl. Acad. Sci. U.S.A.

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Many oxygenated hydrocarbon species formed during combustion, such as furans, are highly toxic and detrimental to human health and the environment. These species may also increase the hygroscopicity of soot and strongly influence the effects of soot on regional and global climate. However, large furans and associated oxygenated species have not previously been observed in flames, and their formation mechanism and interplay with polycyclic aromatic hydrocarbons (PAHs) are poorly understood. We report on a synergistic computational and experimental effort that elucidates the formation of oxygen-embedded compounds, such as furans and other oxygenated hydrocarbons, during the combustion of hydrocarbon fuels. We used ab initio and probabilistic computational techniques to identify low-barrier reaction mechanisms for the formation of large furans and other oxygenated hydrocarbons. We used vacuum-UV photoionization aerosol mass spectrometry and X-ray photoelectron spectroscopy to confirm these predictions. We show that furans are produced in the high-temperature regions of hydrocarbon flames, where they remarkably survive and become the main functional group of oxygenates that incorporate into incipient soot. In controlled flame studies, we discovered ∼100 oxygenated species previously unaccounted for. We found that large alcohols and enols act as precursors to furans, leading to incorporation of oxygen into the carbon skeletons of PAHs. Our results depart dramatically from the crude chemistry of carbonand oxygen-containing molecules previously considered in hydrocarbon formation and oxidation models and spearhead the emerging understanding of the oxidation chemistry that is critical, for example, to control emissions of toxic and carcinogenic combustion by-products, which also greatly affect global warming.furans | oxygenated hydrocarbons | soot | organic carbon | black carbon

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FT-IR and 1H NMR characterization of the products of an ethylene inverse diffusion flame

Cited by 95 publications

References 40 publications

Influence of sulfur in fuel on the properties of diffusion flame soot

Influence of sulfur in fuel on the properties of diffusion flame soot

Nanostructuration of carbonaceous dust as seen through the positions of the 6.2 and 7.7μm AIBs

Formation and emission of large furans and oxygenated hydrocarbons from flames

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