Effect of sulphur dioxide on equilibrium in hydrogen flames

Kallend, A. S.

doi:10.1016/0010-2180(69)90013-3

Cited by 17 publications

(9 citation statements)

References 3 publications

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“…They Table 1 Matrix of experimental conditions. Residence time in the reaction zone is a function of temperature, t r [s] = 3100/T [K], as pressure and total gas flow rate, 16 Table 2 exhibit dependence on pressure. When changing from air to oxy-fuel combustion, the third-body efficiencies for CO 2 of these reactions may be important due to the large increase in the CO 2 concentration levels, since CO 2 generally acts as an important collision partner in pressure dependent reactions.…”

Section: Reaction Mechanismmentioning

confidence: 99%

“…SO 2 is known to interact with the radical pool during combustion affecting the combustion behavior. The presence of SO 2 has been reported to inhibit fuel oxidation by catalyzing radical recombination in plug flow and jet stirred reactor studies [12,13] and also to have a significant impact on flame behavior [14][15][16][17][18][19][20] and explosion limits [21]. The mechanism of radical removal is recognized to be of the type:…”

Section: Introductionmentioning

confidence: 98%

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SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

Giménez-López

Martínez

Millera

et al. 2011

Combustion and Flame

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Section: Reaction Mechanismmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

Giménez-López

Martínez

Millera

et al. 2011

Combustion and Flame

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“…Molecules closely related to sulfur dioxide (SO 2 ) are of considerable interest because of the important roles this triatomic or its derivatives play in the combustion, atmospheric, and interstellar chemistries of sulfur-bearing compounds. Chief among these species are isomers with the elemental formula HSO 2 because this radical intermediate has been implicated in the combustion of sulfur-rich fuels; − the oxidation of either SO by OH, which is thought to be the major pathway to interstellar SO 2 in hot cores, HS by O 2 , or SO 2 by HO 2 at high temperature; and as a byproduct in the oxidation of carbon disulfide, , which is estimated to produce 30% of the atmospheric OCS . Reactions of electronically excited SO 2 with saturated hydrocarbons are also known to produce this radical via the reaction SO 2 + RH → HOSO + R …”

mentioning

confidence: 99%

Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds

McCarthy

Lattanzi

Martı́nez

et al. 2013

J. Phys. Chem. Lett.

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The rotational spectrum of hydroxidooxidosulfur, HOSO, an intermediate of particular interest in the combustion of sulfur-rich fuels, has been determined to high accuracy from gas-phase measurements. Detection of specific isotopic species using isotopically enriched gases suggests that HOSO is formed in our discharge nozzle via the reaction H + SO 2 (+M) → HOSO (+M). A precise experimental r 0 geometry has also been derived from the isotopic analysis; HOSO has a cis configuration, but the subtle structural question of its planarity remains unresolved. From the derived spectroscopic constants, in situ and remote sensing for this fundamental radical can now be undertaken in a variety of environments, including in combustion reactors, the troposphere of Earth, and Io, the innermost Galilean moon of Jupiter.

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“…The interaction between SO 2 and CO has been studied extensively experimentally in flow reactors and flames, and kinetic models for the C/H/O/N/S system have been developed. [1][2][3][4][5] Sulfur dioxide is known to inhibit CO oxidation through removal of O atoms and also by catalyzing recombination of H atoms. 1,3,5 Alzueta et al 5 have additionally found that under near stoichiometric conditions, SO 2 can promote the oxidation of CO.…”

Section: Introductionmentioning

confidence: 99%

Oxidation of CO by SO₂: A Theoretical Study

Bacskay

Mackie

2005

J. Phys. Chem. A

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The elementary reaction SO(2) + CO --> CO(2) + SO((3)Sigma) (1) and the subsequent reaction SO((3)Sigma) + CO --> CO(2) + S((3)P) (2) have been studied by the application of the Gaussian-3//B3LYP quantum chemical approach to characterize the potential energy surfaces and transition state kinetic analysis to derive rate coefficients. Reaction 1 is found to take place via two transition states (TS), a cis-OSOCO TS and a trans-OSOCO TS. Reaction via the cis-TS is concerted and takes place on a singlet surface. Intersystem crossing to the final products occurs after passage through the barrier on the singlet surface. The trans-TS leads to a very weakly bound singlet OSOCO intermediate that then passes through a second TS (on the triplet surface) to form the products. Reaction 2 takes place on triplet surfaces. There is a concerted reaction through a cis-SOCO TS and a weakly bound trans-SOCO has also been identified. Reaction 2 is analogous to the reaction CO + O(2)((3)Sigma) --> CO(2) + O((3)P) (3), and this reaction has been reinvestigated at a similar level of theory and the rate coefficient derived by quantum chemistry is compared with experiment. The sensitive effects of trace impurities such as H(2), H(2)O, and hydrocarbons on the accurate experimental determination of the rate coefficient of reaction 3 is discussed. Using rate coefficients for reactions 1 and 2 obtained via quantum chemical calculations, we have been unable to model the extent of decomposition of SO(2) measured in a shock tube study of reaction between SO(2) and CO [Bauer, S. H.; Jeffers, P.; Lifshitz, A.; Yadava, B. P. Proc. Combust. Inst. 1971, 13, 417]. In light of the known sensitivity of reaction 3 to trace impurities, we have incorporated trace amounts of H(2), CH(4), or H(2)O, together with our rate coefficients for (1) and (2), in a kinetic model of Alzueta et al. [Combust. Flame 2001, 127, 2234], which is then shown to be able to substantially model the SO(2) data of Bauer et al. In the course of this modeling study we also computed heats of formation for a number of sulfur-containing small molecules: HS, HSO, HSOH, HOSO, HS(2), HSO(2), HOSO(2), HOSOH, and HOSHO.

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Effect of sulphur dioxide on equilibrium in hydrogen flames

Cited by 17 publications

References 3 publications

SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds

Oxidation of CO by SO₂: A Theoretical Study

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Effect of sulphur dioxide on equilibrium in hydrogen flames

Cited by 17 publications

References 3 publications

SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions

Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds

Oxidation of CO by SO2: A Theoretical Study

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Oxidation of CO by SO₂: A Theoretical Study