The heterogeneous chemical kinetics of NO3 on atmospheric mineral dust surrogates

Karagulian, Federico; Rossi, Michel J.

doi:10.1039/b506750m

Cited by 76 publications

(124 citation statements)

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“…NO 3 uptake on mineral dust has been also reported. Karagulian and Rossi [2005] recommend an uptake coefficient of 0.2, Bian and Zender [2003] used a value of 0.1 following Seinfeld and Pandis [1997] and Zhang and Carmichael [1999], while Bauer et al [2004] used a value of 3 Â 10 À3 following Thomas et al [1998] and Rudich et al [1996]. We choose to include that reaction with a g = 0.1.…”

Section: Heterogeneous Chemistrymentioning

confidence: 99%

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

et al. 2008

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[1] In this paper, we introduce the ECHAM5-HAMMOZ aerosol-chemistry-climate model that includes fully interactive simulations of Ox-NOx-hydrocarbons chemistry and of aerosol microphysics (including prognostic size distribution and mixing state of aerosols) implemented in the General Circulation Model ECHAM5. The photolysis rates used in the gas chemistry account for aerosol and cloud distributions and a comprehensive set of heterogeneous reactions is implemented. The model is evaluated with trace gas and aerosol observations provided by the TRACE-P aircraft experiment. Sulfate concentrations are well captured but black carbon concentrations are underestimated. The number concentrations, surface areas, and optical properties are reproduced fairly well near the surface but underestimated in the upper troposphere. CO concentrations are well reproduced in general while O 3 concentrations are overestimated by 10-20 ppbv. We find that heterogeneous chemistry significantly influences the regional and global distributions of a number of key trace gases. Heterogeneous reactions reduce the ozone surface concentrations by 18-23% over the TRACE-P region and the global annual mean O 3 burden by 7%. The annual global mean OH concentration decreases by 10% inducing a 7% increase in the global CO burden. Annual global mean HNO 3 surface concentration decreases by 15% because of heterogenous reaction on mineral dust. A comparison of our results to those from previous studies suggests that the choice of uptake coefficients for a given species is the critical parameter that determines the global impact of heterogeneous chemistry on a trace gas (rather than the description of aerosol properties and distributions). A prognostic description of the size distribution and mixing state of the aerosols is important, however, to account for the effect of heterogeneous chemistry on aerosols as further discussed in the second part of this two-part series.Citation: Pozzoli, L., I. Bey, S. Rast, M. G. Schultz, P. Stier, and J. Feichter (2008), Trace gas and aerosol interactions in the fully coupled model of aerosol-chemistry-climate ECHAM5-HAMMOZ: 1. Model description and insights from the spring 2001 TRACE-P experiment,

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Section: Heterogeneous Chemistrymentioning

confidence: 99%

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

et al. 2008

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“…24−27 NO 3 radicals are important oxidants in the atmosphere at night, and their reactivities are comparable to those of OH radicals in the atmosphere during the day time. 28 However, rare studies investigate the reaction between NO 3 radicals and methoxyphenol; therefore, it is vital to study the chemical reactions of NO 3 radicals with methoxyphenols to understand their transport and transformation behaviors in the atmosphere. In this study, the gas-phase reactions of NO 3 radicals with eugenol and 4-ethylguaiacol were investigated using a newly lab-built vacuum ultraviolet photoionization gas time-of-flight mass spectrometer (VUV-GTOFMS) and a gas chromatograph interfaced to a mass spectrometer (GC−MS).…”

Section: Introductionmentioning

confidence: 99%

Gas-Phase Reactions of Methoxyphenols with NO₃ Radicals: Kinetics, Products, and Mechanisms

et al. 2016

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Methoxyphenols, a group of important tracers for wood smoke, are emitted to the atmosphere in large quantities, but their transformations are rarely studied. In this study, the kinetics and products of the gas-phase reactions of eugenol and 4-ethylguaiacol with NO 3 radicals were investigated online using a vacuum ultraviolet photoionization gas time-of-flight mass spectrometer. The rate coefficients of the gaseous reactions of eugenol and 4-ethylguaiacol with NO 3 radicals were (1.6 ± 0.4) × 10 −13 and (1.1 ± 0.2) × 10 −12 cm 3 molecule −1 s −1 (at 298 K), indicating that the atmospheric lifetimes of the NO 3 radicals were 3.5 and 0.5 h, respectively. With the aid of gaschromatography−mass-spectrometry analysis, several types of degradation products were identified with nitro derivatives as the major products. The configurations of the nitro-product isomers and their formation mechanisms were determined via theoretical calculations. On the basis of these products, degradation pathways of the methoxyphenols with NO 3 radicals were proposed. This study determines the degradation rates and mechanisms of the methoxyphenols at night and implies the significant NO 3 nighttime chemistry.

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“…We have therefore embarked on a laboratory program to measure some of the heterogeneous reactions involving N 2 O 5 and NO 3 (Karagulian and Rossi, 2005) as relevant trace atmospheric gases. In the present work, we have used a Knudsen flow reactor in order to investigate the uptake and reaction of N 2 O 5 on selected authentic mineral dust samples such as Kaolinite, Saharan Dust from Cape Verde Islands, Arizona test dust and natural limestone as well as on samples of pure CaCO 3 .…”

Section: Introductionmentioning

confidence: 99%

The heterogeneous chemical kinetics of N2O5 on CaCO3 and other atmospheric mineral dust surrogates

2006

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Abstract.Uptake experiments of N 2 O 5 on several mineral dust powder samples were carried out under continuous molecular flow conditions at 298±2 K. At [N 2 O 5 ] 0 =(4.0±1.0)×10 11 cm −3 we have found γ ss values ranging from (3.5±1.1)×10 −2 for CaCO 3 to (0.20±0.05) for Saharan Dust with γ ss decreasing as [N 2 O 5 ] 0 increased. The uptake coefficients reported in this work are to be regarded as upper limiting values owing to the fact that they are based on the geometric (projected) surface area of the mineral dust sample. We have observed delayed production of HNO 3 upon uptake of N 2 O 5 for every investigated sample owing to hydrolysis of N 2 O 5 with surface-adsorbed H 2 O. Arizona Test Dust and Kaolinite turned out to be the samples that generated the largest amount of gas phase HNO 3 with respect to N 2 O 5 taken up. In contrast, the yield of HNO 3 for Saharan Dust and CaCO 3 is lower. On CaCO 3 the disappearance of N 2 O 5 was also accompanied by the formation of CO 2 . For CaCO 3 sample masses ranging from 0.33 to 2.0 g, the yield of CO 2 was approximately 42-50% with respect to the total number of N 2 O 5 molecules taken up. The reaction of N 2 O 5 with mineral dust and the subsequent production of gas phase HNO 3 lead to a decrease in [NO x ] which may have a significant effect on global ozone.

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The heterogeneous chemical kinetics of NO3 on atmospheric mineral dust surrogates

Cited by 76 publications

References 51 publications

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

Gas-Phase Reactions of Methoxyphenols with NO₃ Radicals: Kinetics, Products, and Mechanisms

The heterogeneous chemical kinetics of N<sub>2</sub>O<sub>5</sub> on CaCO<sub>3</sub> and other atmospheric mineral dust surrogates

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The heterogeneous chemical kinetics of NO3 on atmospheric mineral dust surrogates

Cited by 76 publications

References 51 publications

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

Trace gas and aerosol interactions in the fully coupled model of aerosol‐chemistry‐climate ECHAM5‐HAMMOZ: 1. Model description and insights from the spring 2001 TRACE‐P experiment

Gas-Phase Reactions of Methoxyphenols with NO3 Radicals: Kinetics, Products, and Mechanisms

The heterogeneous chemical kinetics of N&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;5&lt;/sub&gt; on CaCO&lt;sub&gt;3&lt;/sub&gt; and other atmospheric mineral dust surrogates

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Gas-Phase Reactions of Methoxyphenols with NO₃ Radicals: Kinetics, Products, and Mechanisms

The heterogeneous chemical kinetics of N<sub>2</sub>O<sub>5</sub> on CaCO<sub>3</sub> and other atmospheric mineral dust surrogates