Development of a Group Contribution Method To Predict Aqueous Phase Hydroxyl Radical (HO•) Reaction Rate Constants

2009 ◽  
Vol 43 (16) ◽  
pp. 6220-6227 ◽  
Author(s):  
Daisuke Minakata ◽  
Ke Li ◽  
Paul Westerhoff ◽  
John Crittenden
Keyword(s):  
Hydroxyl Radical ◽  
Aqueous Phase ◽  
Rate Constants ◽  
Reaction Rate ◽  
Group Contribution ◽  
Group Contribution Method ◽  
Reaction Rate Constants

Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols

2009 ◽  
Vol 28 (11-12) ◽  
pp. 1309-1316 ◽  
Author(s):  
Ya-nan Wang ◽  
Jingwen Chen ◽  
Xuehua Li ◽  
Siyu Zhang ◽  
Xianliang Qiao
Keyword(s):  
Hydroxyl Radical ◽  
Aqueous Phase ◽  
Rate Constants ◽  
Reaction Rate ◽  
Phase Reaction ◽  
Reaction Rate Constants

scholarly journals Constraining condensed-phase formation kinetics of secondary organic aerosol components from isoprene epoxydiols

2016 ◽  
Vol 16 (3) ◽  
pp. 1245-1254 ◽  
Author(s):  
T. P. Riedel ◽  
Y.-H. Lin ◽  
Z. Zhang ◽  
K. Chu ◽  
J. A. Thornton ◽  
...  
Keyword(s):  
Aqueous Phase ◽  
Atmospheric Aerosols ◽  
Rate Constants ◽  
Reaction Rate ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Heterogeneous Reactions ◽  
Model Calculations ◽  
Reaction Rate Constants ◽  
Aerosol Mass

Abstract. Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.

scholarly journals Constraining condensed-phase formation kinetics of secondary organic aerosol components from isoprene epoxydiols

2015 ◽  
Vol 15 (20) ◽  
pp. 28289-28316 ◽  
Author(s):  
T. P. Riedel ◽  
Y.-H. Lin ◽  
Z. Zhang ◽  
K. Chu ◽  
J. A. Thornton ◽  
...  
Keyword(s):  
Aqueous Phase ◽  
Atmospheric Aerosols ◽  
Rate Constants ◽  
Reaction Rate ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Heterogeneous Reactions ◽  
Model Calculations ◽  
Reaction Rate Constants ◽  
Aerosol Mass

Abstract. Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall-losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.

scholarly journals Iron(III) hydroxocomplex - methyl viologen dication system as a prospective tool for determination of hydroxyl radical reaction rate constants with environmental pollutants

2021 ◽  
Author(s):  
Yuliya Tyutereva ◽  
Vyacheslav P. Grivin ◽  
Jing Xu ◽  
Feng Wu ◽  
Victor Plyusnin ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Reaction Rate ◽  
Methyl Viologen ◽  
Flash Photolysis ◽  
Laser Flash Photolysis ◽  
Radical Reaction ◽  
Reaction Rate Constants ◽  
Wide Range

Abstract Reactivity of oxidative species with target pollutants is one of the crucial parameters for application of any system based on advanced oxidation processes (AOPs). This work presents new useful approach how to determine the hydroxyl radical reaction rate constants (kOH) using UVA laser flash photolysis technique. Fe(III) hydroxocomplex at pH 3 was applied as a standard source of hydroxyl radicals and methyl viologen dication (MV2+) was used as selective probe for •OH radical. Application of MV2+ allows to determine kOH values even for compounds which do not generate themselves optically detectable transient species in reaction with hydroxyl radicals. Validity of this approach was tested on a wide range of different persistent pesticides and its main advantages and drawbacks in comparison with existing steady-state and time-resolved techniques were discussed.

Photometric hydroxyl radical scavenging analysis of standard natural organic matter isolates

2014 ◽  
Vol 16 (4) ◽  
pp. 764-769 ◽  
Author(s):  
J. E. Donham ◽  
E. J. Rosenfeldt ◽  
K. R. Wigginton
Keyword(s):  
Organic Matter ◽  
Hydroxyl Radical ◽  
Natural Organic Matter ◽  
Rate Constants ◽  
Reaction Rate ◽  
Radical Scavenging ◽  
Reaction Rate Constants

Hydroxyl radical (˙OH) scavenging reaction rate constants of standard natural organic matter (NOM) isolates (k˙OH,NOM) were measured with a rapid background scavenging method.

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