scholarly journals Comment on “Atmospheric chemistry of oxazole: the mechanism and kinetic studies on oxidation reaction initiated by OH radicals” by A. Shiroudi, M. A. Abdel-Rahman, A. M. El-Nahas and M. Altarawneh, New J. Chem., 2021, 45, 2237

2021 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Lam K. Huynh
Keyword(s):  
Master Equation ◽  
Atmospheric Chemistry ◽  
Oxidation Reaction ◽  
Experimental Studies ◽  
Kinetic Studies ◽  
Oh Radicals ◽  
Rate Model

The large kinetic discrepancy between computational and experimental studies is resolved using the rigorous stochastic RRKM-based master-equation rate model. Detailed mechanistic insights are also revealed to advance its related applications.

Atmospheric chemistry of oxazole: the mechanism and kinetic studies on oxidation reaction initiated by OH radicals

2021 ◽  
Author(s):  
Abolfazl Shiroudi ◽  
Mohamad Abdel-Rahman ◽  
Ahmed El-Nahas ◽  
Mohammednoor Altarawneh
Keyword(s):  
Reaction Kinetics ◽  
Atmospheric Chemistry ◽  
Oxidation Reaction ◽  
Kinetic Studies ◽  
Oh Radicals ◽  
Atmospheric Conditions

The oxidation reaction of oxazole initiated by OH radicals is studied via OH-addition and H-abstraction reactions using DFT (M06-2X and ωB97XD methods) under atmospheric conditions which coupled with reaction kinetics...

Detailed kinetics of hydrogen abstraction from trans-decalin by OH radicals: the role of hindered internal rotation treatment

2020 ◽  
Vol 22 (44) ◽  
pp. 25740-25746
Author(s):  
Tam V.-T. Mai ◽  
Lam K. Huynh
Keyword(s):  
Master Equation ◽  
Hydrogen Abstraction ◽  
Kinetic Mechanism ◽  
Oh Radicals ◽  
Rate Model ◽  
Wide Range ◽  
Detailed Kinetics ◽  
Kinetics Of ◽  
Detailed Kinetic Mechanism

The detailed kinetic mechanism of the trans-decalin + OH reaction is firstly investigated for a wide range of conditions (T = 200–2000 K & P = 0.76–76000 Torr) using the M06-2X/aug-cc-pVTZ level and stochastic RRKM-based Master equation rate model.

Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study

2019 ◽  
Vol 21 (42) ◽  
pp. 23733-23741 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Hieu T. Nguyen ◽  
Lam K. Huynh
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Hydrogen Abstraction ◽  
Kinetic Mechanism ◽  
Oh Radicals ◽  
Rate Model ◽  
Detailed Kinetic Mechanism ◽  
Wide Condition

The detailed kinetic mechanism of the N2H4 + OH reaction is comprehensively reported for a wide condition range of conditions (i.e., 200–3000 K & 1–7600 Torr) using the CCSD(T)/CBS//M06-2X/6-311++G(3df,2p) level and the RRKM-based master equation rate model.

Atmospheric Chemistry of CH3CH2OCH3: Kinetics and Mechanism of Reactions with Cl Atoms and OH Radicals

2016 ◽  
Vol 49 (1) ◽  
pp. 10-20 ◽  
Author(s):  
Mads P. Sulbaek Andersen ◽  
Sissel Bjørn Svendsen ◽  
Freja From Østerstrøm ◽  
Ole John Nielsen
Keyword(s):  
Atmospheric Chemistry ◽  
Kinetics And Mechanism ◽  
Oh Radicals ◽  
Cl Atoms

Atmospheric chemistry of trans-CF3CHCHCl: Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3

2008 ◽  
Vol 199 (1) ◽  
pp. 92-97 ◽  
Author(s):  
M.P. Sulbaek Andersen ◽  
E.J.K. Nilsson ◽  
O.J. Nielsen ◽  
M.S. Johnson ◽  
M.D. Hurley ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Oh Radicals ◽  
Gas Phase Reactions ◽  
Kinetics Of ◽  
Cl Atoms

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

2011 ◽  
Vol 115 (33) ◽  
pp. 9160-9168 ◽  
Author(s):  
Emese Szabó ◽  
Mokhtar Djehiche ◽  
Matthieu Riva ◽  
Christa Fittschen ◽  
Patrice Coddeville ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
Oh Radicals

Control of disinfection and halogenated disinfection byproducts by the electrochemical process

2007 ◽  
Vol 55 (12) ◽  
pp. 213-219 ◽  
Author(s):  
Y.J. Jung ◽  
B.S. Oh ◽  
J.W. Kang ◽  
M.A. Page ◽  
M.J. Phillips ◽  
...  
Keyword(s):  
Kinetic Studies ◽  
Disinfection Byproducts ◽  
Electrochemical Process ◽  
Free Chlorine ◽  
Haloacetic Acids ◽  
Oh Radicals ◽  
Inactivation Kinetic ◽  
E Coli ◽  
Electrochemical Processes

The aim of this study was to investigate some aspects of the performance of electrochemical process as an alternative disinfection strategy, while minimising DBPs, for water purification. The study of electrochemical processes has shown free chlorine to be produced, but smaller amounts of stronger oxidants, such as ozone, hydrogen peroxide and OH radicals (•OH), were also generated. The formation of mixed oxidants increased with increasing electric conductivity, but was limited at conductivities greater than 0.6 mS/cm. Using several microorganisms, such as E. coli and MS2 bacteriophage, inactivation kinetic studies were performed. With the exception of free chlorine, the role of mixed oxidants, especially OH radicals, was investigated for enhancement of the inactivation rate. Additionally, the formation and reduction of DBPs was studied by monitoring the concentration of haloacetic acids (HAAs) during the process.

Atmospheric Chemistry of Perfluorinated Carboxylic Acids:  Reaction with OH Radicals and Atmospheric Lifetimes

2004 ◽  
Vol 108 (4) ◽  
pp. 615-620 ◽  
Author(s):  
M. D. Hurley ◽  
M. P. Sulbaek Andersen ◽  
T. J. Wallington ◽  
D. A. Ellis ◽  
J. W. Martin ◽  
...  
Keyword(s):  
Carboxylic Acids ◽  
Atmospheric Chemistry ◽  
Oh Radicals ◽  
Perfluorinated Carboxylic Acids
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