The Reaction Kinetics of Amino Radicals with Sulfur Dioxide

Gao, Yide; Glarborg, Peter; Marshall, Paul

doi:10.1515/zpch-2015-0637

Cited by 6 publications

(3 citation statements)

References 21 publications

(23 reference statements)

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“…Consequently, a subset for NH 2 SO 2 was established and implemented in the model. The NH 2 SO 2 adduct is formed by recombination of NH 2 and SO 2 The kinetic data for this reaction were adopted from the study of Gao et al There is no information reported about consumption reactions for NH 2 SO 2 , so a subset was established with estimated rates (see SI). However, based on the thermodynamic properties of NH 2 SO 2 , calculated in the present work, the thermal stability of this species is too low for it to be important at temperatures relevant for SNCR.…”

Section: Modeling Approachmentioning

confidence: 99%

Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Krum

Jensen

et al. 2021

Energy Fuels

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Ammonium sulfate (AS) is of interest as an additive in stationary combustion plants for the simultaneous control of NO x (through selective noncatalytic reduction, SNCR) and deposition and corrosion (through sulfation of alkali chlorides). The SNCR performance of ammonium sulfate was evaluated through experiments in a laboratory-scale flow reactor. Experiments with 5 and 10 wt % aqueous ammonium sulfate solutions, corresponding to AS/NO ratios above 1, yielded NO reductions up to 95% in a temperature interval of 1025–1075 °C. The results indicated that sulfur from ammonium sulfate is mainly released as SO3, even though SO2 is detected in increasing concentrations at temperatures above 1000 °C. Addition of KCl to the SNCR process was shown to promote the reaction at lower temperatures, extending the temperature window for reduction by 50 °C. Furthermore, ammonium sulfate facilitated a high degree of KCl sulfation at or below 1000 °C, demonstrating the potential of using ammonium sulfate to simultaneously reduce NO x and corrosion in full-scale combustion plants. The experiments were analyzed in terms of a detailed kinetic model. The SNCR experiments using ammonium sulfate were described satisfactorily by the model, although the NO reduction at the optimum was slightly underestimated. Also, the sulfation of KCl was captured well, but the promoting effect of KCl on SNCR with ammonium sulfate was greatly underestimated. Possible reasons for this discrepancy were discussed.

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Section: Modeling Approachmentioning

confidence: 99%

Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Krum

Jensen

et al. 2021

Energy Fuels

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“…The present study shows that the branched isomer, HNSO 2 , which is isoelectronic with SO 3 is 18.3 kcal/mol more stable than the unbranched HONSO. The thermochemical calculations by Gao et al showed that HNSO 2 is having SN bond dissociation enthalpy of 33.8 kcal/mol more than the atmospherically relevant radical H 2 NSO 2 . The theoretical calculations by Williams et al reported that HNSO 2 is an isolable species and is about 4.5 kcal/mol more stable than its SO 3 analogue .…”

Section: Introductionmentioning

confidence: 99%

Hydrolysis of HNSO₂: A potential route for atmospheric production of H₂SO₄ and NH₃

Manonmani

Sandhiya

Senthilkumar

2020

Int J of Quantum Chemistry

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The hydrolysis of sulfonylamine (HNSO 2 ) results in the formation of sulfuric acid along with ammonia, and is of significant interest due to their negative impact on environment and life on Earth. The formation of H 2 SO 4 through the reaction of HNSO 2 with (H 2 O) [2][3][4] has been studied using high level electronic structure calculations. This hydrolysis reaction is a step-wise process, in the first step a H-atom from H 2 O is transferred to the N-atom of HNSO 2 which results in the formation of NH 2 , and in the next step, H 2 SO 4 , NH 3 and water molecule(s) are formed. The results show that the energy barrier associated with the formation of intermediates and product complexes is reduced by 7 to 10 kcal/mol when the number of water molecules is increased from 2 to 4. The rate constant was calculated using canonical variational transition state theory with small curvature tunneling correction over the temperature range of 200 to 1000 K. At 298 K, the calculated rate constant for the formation of intermediate in the first step is 2.24 × 10 −16 , 1.03 × 10 −12 , and 2.10 × 10 −11 cm 3 mol −1 s −1 , respectively, for the reaction with water dimer, trimer and tetramer. The calculated enthalpy and free energy show that the reaction corresponding to the formation of H 2 SO 4 is highly exothermic and exoergic in nature. K E Y W O R D Skinetics, sulfonylamine, sulfuric acid, water dimer, water tetramer, water trimer, aereosol, atmospheric reaction

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“…[24][25][26][27][28][29][30][31][32] However, the interaction between nitrogen and sulfur chemistry in combustion is still a field with major uncertainty. [33] After studying the literature studies [11,14,16,20,21,30] about the reaction mechanism between nitrogen and sulfur species, this article systematically summarizes and selects 12 reactions (R1-R12) of small sulfur-containing molecules with NO and NO 2 . These reactions and the roles and significance of these reactions are shown in Table 1.…”

Section: Introductionmentioning

confidence: 99%

Calculation of anharmonic effect on the reactions of small sulfur‐containing molecules with NO/NO₂ in combustion

Chen

Yang

et al. 2021

J Chinese Chemical Soc

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The Reaction Kinetics of Amino Radicals with Sulfur Dioxide

Abstract: Application of the laser photolysis-laser-induced fluorescence method to the reaction NH 2 + SO 2 in argon bath gas yields pressure-dependent, thirdorder kinetics which may be summarized as

Cited by 6 publications

References 21 publications

Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Hydrolysis of HNSO₂: A potential route for atmospheric production of H₂SO₄ and NH₃

Calculation of anharmonic effect on the reactions of small sulfur‐containing molecules with NO/NO₂ in combustion

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The Reaction Kinetics of Amino Radicals with Sulfur Dioxide

Abstract: Application of the laser photolysis-laser-induced fluorescence method to the reaction NH 2 + SO 2 in argon bath gas yields pressure-dependent, thirdorder kinetics which may be summarized as

Cited by 6 publications

References 21 publications

Selective Noncatalytic Reduction of NOx Using Ammonium Sulfate

Selective Noncatalytic Reduction of NOx Using Ammonium Sulfate

Hydrolysis of HNSO2: A potential route for atmospheric production of H2SO4 and NH3

Calculation of anharmonic effect on the reactions of small sulfur‐containing molecules with NO/NO2 in combustion

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Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Selective Noncatalytic Reduction of NO_x Using Ammonium Sulfate

Hydrolysis of HNSO₂: A potential route for atmospheric production of H₂SO₄ and NH₃

Calculation of anharmonic effect on the reactions of small sulfur‐containing molecules with NO/NO₂ in combustion