scholarly journals PREDICTION OF REACTION RATE CONSTANTS OF HYDROXYL RADICAL WITH ORGANIC COMPOUNDS

2014 ◽  
Vol 59 (1) ◽  
pp. 2252-2259 ◽  
Author(s):  
ZHEN CHEN ◽  
XINLIANG YU ◽  
XIANWEI HUANG ◽  
SHIHUA ZHANG
Keyword(s):  
Hydroxyl Radical ◽  
Organic Compounds ◽  
Rate Constants ◽  
Reaction Rate ◽  
Reaction Rate Constants

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.

Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report)

2001 ◽  
Vol 73 (8) ◽  
pp. 1331-1348 ◽  
Author(s):  
A. Sabljic ◽  
W. Peijnenburg
Keyword(s):  
Organic Compounds ◽  
Rate Constants ◽  
Reaction Rate ◽  
Evaluation Studies ◽  
Direct Calculation ◽  
Degradation Process ◽  
Evaluation Procedure ◽  
Reaction Rate Constants ◽  
Extensive Evaluation ◽  
Soil And Water

Degradability of organic compounds in air, soil, and water is the most important factor for evaluating their environment fate as well as possible adverse effects to humans and the environment. The primary degradation process in the troposphere is the reaction with the hydroxyl radical. For water and soil compartments, the primary degradation process is biodegradation. The objectives of this report are: (i) to review published models and their evaluation studies, (ii) to perform an in-house evaluation of general models for estimating tropospheric degradation and biodegradation of organic compounds, and (iii) to recommend reliable procedures for estimating degradability of organic compounds in the environment. The extensive evaluation procedure has shown that the most accurate method for estimating tropospheric degradation is Atkinson's group contribution method. Although this method has some limitations, it seems to be a method of choice. A viable alternative to Atkinson's method is a direct calculation, performed today almost routinely, of the reaction rate constants with hydroxyl radicals. Recently, a methodology based on reliable semiempirical potential energy surfaces was developed that enables the calculation of reaction rate constants within a factor of 2 of their measured values. A partial least squares (PLS) model and a set of seven biodegradation rules have been found to be the most reliable in estimating complete biodegradation of organic compounds. However, it is recommended to use all four evaluated methods to estimate biodegradation in the environment. If their results agree, such estimates are very reliable.

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.

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
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