Formation of aromatic chlorinated compounds catalyzed by copper and iron

Halonen, Ismo; Tuppurainen, Kari; Ruuskanen, Juhani

doi:10.1016/s0045-6535(97)00109-4

Cited by 48 publications

(20 citation statements)

References 18 publications

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“…Eleven classes of organic compounds were detected, including alkane, alkene, aldehyde, alkyl benzene, alcohol, acid, ester, phthalate ester, phenols, phenoxy compound, and PAHs, above containing 3, 7, 1, 2, 2, 1, 4, 6, 1, 1, and 1 chemical compounds for each individual class, respectively. However, no chlorinated compound was detected might be because chlorinated compounds were presented in the gaseous form under either complete or incomplete combustion situations (Ismo et al, 1997). Table 5 also compares the results obtained from the present study and that obtained from Tsubouchi et al using TPD and TPO techniques (Tsubouchi et al, 2006).…”

Section: Elemental Constituents Containing In Wb Dustssupporting

confidence: 67%

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Kuo

Chen

Yang³

et al. 2011

Aerosol Air Qual. Res.

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This study measured the contents of the ionic and elemental constituents, and the chemical compounds containing in windbox (WB) dusts collected from a commercial iron ore sintering plant, then the results were used to identify possible PCDD/Fs formation pathways in the WB. We found that the abundance in both KCl and NaCl may provide a suitable condition for de novo synthesis of PCDD/Fs in the WB. Al, Fe, K, Ca, and Pb were the top five contents in WB16 dusts, but the co-existence of the above five metal contents warrants the need for further investigation on their roles in PCDD/F formation processes in the future. Although a low concentration of Cu was detected, it might be of importance to PCDD/Fs formation inside the WB. A total of 29 chemical compounds were identified. Among them, several oxygenated organic compound might be associated with PCDD/F formations at the beginning stage, but the roles of aromatic oxygenates on the formation of PCDD/Fs required further investigation. Finally, possible de novo synthesis pathways of PCDD/Fs were proposed based on the above findings. However, the above pathways are required further laboratory studies for validation before possible formation suppression approaches can be determined.

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Section: Elemental Constituents Containing In Wb Dustssupporting

confidence: 67%

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Kuo

Chen

Yang³

et al. 2011

Aerosol Air Qual. Res.

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“…The structure of the negatively charged Cu 3 O cluster is different in that there are three bond angles of O-Cu-O: 89. 8 and 88.0 , and 177. 7 .…”

Section: Resultsmentioning

confidence: 96%

“…6 It is well known that transition metal-mediated surface reactions are the main reason for PCDD/Fs emissions in the post-flame, cool zone at temperatures between 300 and 500 C. [7][8][9] EPFRs are formed through the reaction of hydroxylated copper oxide and PCDD precursors. The reaction is a good mechanism to explain the surface reactions that are to be expected in ultrafine particles.…”

Section: Introductionmentioning

confidence: 99%

Structures and Electronic Properties of Cu₃O_n (n = 1–6) Clusters using ab initio Monte Carlo Simulations

Bae

2016

Bulletin Korean Chem Soc

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We studied the structures and electronic properties of copper oxide clusters, Cu 3 O n (n = 1-6), using ab initio Monte Carlo simulations and density functional theory calculations. All lowest energy structures of neutral and charged Cu 3 O n clusters with n = 1-6 are optimized with the B3LYP functional and LANL2DZ basis set. We found that the lowest energy structures of neutral and charged Cu 3 O n (n = 1-6) clusters are planar or near-planar. Selected electronic properties including atomization energies, ionization energies, electron affinities, second difference in energies, HOMO-LUMO gaps, and Bader charges are calculated and examined for each n. We concluded that the Cu 3 O 3 cluster is the first ring structure and the most stable structure.

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“…The proposed mechanisms of PCDD/F inhibition by nitrogen compounds include alteration of acidity of flyash e.g. by ammonia; formation of stable metal nitride bonds; and formation of stable metal-ammonia co-ordination compounds (Ismo et al, 1997Kuzuhara et al, 2005). However, some mechanisms also involve the reaction of the nitrogen-based additives and their degradation products with PCDD/F precursors.…”

Section: Introductionmentioning

confidence: 99%

Effects of gaseous NH3 and SO2 on the concentration profiles of PCDD/F in flyash under post-combustion zone conditions

2012

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The influence of gaseous ammonia and sulphur dioxide on the formation of 2378-substituted PCDD/F on a reference flyash from a municipal waste incinerator has been investigated using a laboratory scale fixed-bed reactor. The reference flyash samples (BCR-490) was reacted under a simulated flue gas stream at temperatures of 225 °C and 375 ºC for 96 hours. The experiments were carried out in two series: first with simulated flue gas alone, and then with injection of NH 3 or SO 2 gas into the flue gas just before the reactor inlet. It was found that the injection of gaseous ammonia into the flue gas could decrease the concentration of both PCDD and PCDF by 34-75% from the solid phase and by 21-40% from the gas phase. Converting the results to I-TEQ values, it could reduce the total I-TEQ values of PCDD and PCDF in the sum of the flyash and exhaust flue gas by 42 -75% and 24 -57% respectively. The application of SO 2 led to 99% and 93% reductions in the PCDD and PCDF average congener concentrations, respectively in the solid phase. In the gas phase, the total reductions were 89% and 76% for PCDD and PCDF, respectively. Moreover, addition of SO 2 reduced the total I-TEQ value of PCDD and PCDF in the flyash and exhaust flue gas together by 60 -86% and 72 -82% respectively. Sulphur dioxide was more effective than ammonia in suppressing PCDD/F formation in flyash under the conditions investigated.

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Formation of aromatic chlorinated compounds catalyzed by copper and iron

Cited by 48 publications

References 18 publications

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Structures and Electronic Properties of Cu₃O_n (n = 1–6) Clusters using ab initio Monte Carlo Simulations

Effects of gaseous NH3 and SO2 on the concentration profiles of PCDD/F in flyash under post-combustion zone conditions

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Formation of aromatic chlorinated compounds catalyzed by copper and iron

Cited by 48 publications

References 18 publications

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Identification the Content of the Windbox Dust Related to the Formation of PCDD/Fs during the Iron Ore Sintering Process

Structures and Electronic Properties of Cu3On (n = 1–6) Clusters using ab initio Monte Carlo Simulations

Effects of gaseous NH3 and SO2 on the concentration profiles of PCDD/F in flyash under post-combustion zone conditions

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Structures and Electronic Properties of Cu₃O_n (n = 1–6) Clusters using ab initio Monte Carlo Simulations