Temperature dependence of the rate constants for reactions of the sulfate radical, SO4-, with anions

Huie, Robert E.; Clifton, Carol L.

doi:10.1021/j100386a015

Cited by 220 publications

(140 citation statements)

References 3 publications

(4 reference statements)

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“…The latter goes readily into solution where it dissociates as HCl → H + + Cl − . In the presence of the sulfate radical, (Zhu, 2004) (Chawla and Fessenden, 1975;Huie and Clifton, 1990), and its role in heterogeneous chemistry is described later. Also important are the aqueous reactions The reaction of DMS with OH (Reaction R13) is more than a factor of 20 faster than DMS with O 3 (Reaction R12) but O 3 concentrations are far greater than OH making the ozone reaction the dominant pathway.…”

Section: S F Mueller Et Al: Part 2: Modifications For Simulating Nmentioning

confidence: 99%

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Modeling natural emissions in the Community Multiscale Air Quality (CMAQ) model – Part 2: Modifications for simulating natural emissions

2011

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Abstract. The Community Multiscale Air Quality (CMAQ) model version 4.6 has been revised with regard to the representation of chlorine (HCl, ClNO 2 ) and sulfur (dimethylsulfide, or DMS, and H 2 S), and evaluated against observations and earlier published models. Chemistry parameterizations were based on published reaction kinetic data and a recently developed cloud chemistry model that includes heterogeneous reactions of organic sulfur compounds. Evaluation of the revised model was conducted using a recently enhanced data base of natural emissions that includes ocean and continental sources of DMS, H 2 S, chlorinated gases and lightning NO x for the continental United States and surrounding regions. Results using 2002 meteorology and emissions indicated that most simulated "natural" (plus background) chemical and aerosol species exhibit the expected seasonal variations at the surface. Ozone exhibits a winter and early spring maximum consistent with ozone data and an earlier published model. Ozone distributions reflect the influences of atmospheric dynamics and pollutant background levels imposed on the CMAQ simulation by boundary conditions derived from a global model. A series of model experiments reveals that the consideration of gas-phase organic sulfur chemistry leads to sulfate aerosol increases over most of the continental United States. Cloud chemistry parameterization changes result in widespread decreases in SO 2 across the modeling domain and both increases and decreases in sulfate. Most cloud-mediated sulfate increases occurred mainly over the Pacific Ocean (up to about 0.1 µg m −3 ) but also over and downwind from the Gulf of Mexico (including parts of the eastern US). Geographic variations in simulated SO 2 and sulfate are due to the link between DMS/H 2 S and their byproduct SO 2 , the heterogeneity of cloud cover and precipitation Correspondence to: S. F. Mueller (sfmueller@tva.gov) (precipitating clouds act as net sinks for SO 2 and sulfate), and the persistence of cloud cover (the largest relative sulfate increases occurred over the persistently cloudy Gulf of Mexico and western Atlantic Ocean). Overall, the addition of organic sulfur chemistry increased hourly surface sulfate levels by up to 1-2 µg m −3 but reduced sulfate levels in the vicinity of high SO 2 emissions (e.g., wildfires). Simulated surface levels of DMS compare reasonably well with observations in the marine boundary layer where DMS oxidation product levels are lower than observed. This implies either a low bias in model oxidation rates of organic sulfur species or a low bias in the boundary conditions for DMS oxidation products. This revised version of CMAQ provides a tool for realistically simulating the influence of natural emissions on air quality.

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Section: S F Mueller Et Al: Part 2: Modifications For Simulating Nmentioning

confidence: 99%

“…Meteorological fields used by CMAQ are from simulations of the MM5 meteorological model (Grell et al, 1994). Chemical boundary conditions were derived from a 2002 global simulation using the GEOS-Chem model (Jacob et al, 2005).…”

Section: S F Mueller Et Al: Part 2: Modifications For Simulating Nmentioning

confidence: 99%

Modeling natural emissions in the Community Multiscale Air Quality (CMAQ) model – Part 2: Modifications for simulating natural emissions

2011

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“…In more detail e.g. the kinetics of their reactions with Cl -or HCO 3 -ions was studied (Huie and Clifton, 1990) as well as with Fe 2+ ions (McElroy and Waygood, 1990), leading also to the oxidation Fe 2+ → Fe 3+ and to the decay of SO 4 -→ SO 4 2-.…”

Section: Radiolysis Of Aqueous Solutions Relevant To Nuclear Waste Prmentioning

confidence: 99%

Radiation Induced Corrosion of Nuclear Fuel and Materials

Čuba¹,

Múčka²,

Pospı́šil³

2012

Advances in Nuclear Fuel

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“…[16][17] While many oxidants exhibit a redox potential capable of broad-spectrum organic oxidation, peroxydisulfate uniquely combines a high oxidation potential with a rapid, nucleophilic charge-transfer capability. Oxidation occurs principally through the formation of the sulfate radical anion •, following mild thermal (70-100 o C) or UV activation of peroxydisulfate solutions [18][19][20][21][22][23][24]:…”

Section: B Oxidation Chemistrymentioning

confidence: 99%

“…Alternatively, the use of DCO in a basic solution avoids the formation of chlorine, as the chlorine released from the destruction of the organic remains as chloride ion in solution. [20,21] If the oxidant is recycled by electrolysis, then oxygen, ozone, and possibly chlorine (if chloride ion is present) will be added to the offgas stream at the anode of the regeneration cell.…”

Section: B Oxidation Chemistrymentioning

confidence: 99%

Direct chemical oxidation: a non-thermal technology for the destruction of organic wastes

Baláȥs¹,

Cooper²,

Lewis³

et al. 1998

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Temperature dependence of the rate constants for reactions of the sulfate radical, SO4-, with anions

Cited by 220 publications

References 3 publications

Modeling natural emissions in the Community Multiscale Air Quality (CMAQ) model – Part 2: Modifications for simulating natural emissions

Modeling natural emissions in the Community Multiscale Air Quality (CMAQ) model – Part 2: Modifications for simulating natural emissions

Radiation Induced Corrosion of Nuclear Fuel and Materials

Direct chemical oxidation: a non-thermal technology for the destruction of organic wastes

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