An experimental and theoretical study on the kinetics of the reaction between 4-hydroxy-3-hexanone CH3 CH2 C(O)CH(OH)CH2 CH3 and OH radicals

2018 ◽  
Vol 50 (8) ◽  
pp. 556-567 ◽  
Author(s):  
Gisèle El Dib ◽  
Basheer Aazaad ◽  
Senthilkumar Lakshmipathi ◽  
Hélène Laversin ◽  
Estelle Roth ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Oh Radicals ◽  
Kinetics Of

An experimental and theoretical study of the kinetics of the reaction between 3-hydroxy-3-methyl-2-butanone and OH radicals

RSC Advances ◽  
2015 ◽  
Vol 5 (34) ◽  
pp. 26559-26568 ◽  
Author(s):  
Angappan Mano Priya ◽  
Gisèle El Dib ◽  
Lakshmipathi Senthilkumar ◽  
Chantal Sleiman ◽  
Alexandre Tomas ◽  
...  
Keyword(s):  
Rate Constants ◽  
Theoretical Study ◽  
Oh Radicals ◽  
First Time ◽  
Kinetics Of

Absolute experimental and theoretical rate constants are determined for the first time for the reaction of 3-hydroxy-3-methyl-2-butanone with OH as a function of temperature. The atmospheric implications are discussed.

Mechanism and kinetics of the atmospheric degradation of 2-formylcinnamaldehyde with O3 and hydroxyl OH radicals – a theoretical study

2016 ◽  
Vol 114 (20) ◽  
pp. 3055-3075 ◽  
Author(s):  
D. Thangamani ◽  
R. Shankar ◽  
S. Vijayakumar ◽  
P. Kolandaivel
Keyword(s):  
Theoretical Study ◽  
Oh Radicals ◽  
Atmospheric Degradation ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The atmospheric oxidation mechanism and kinetics of 1,3,5-trimethylbenzene initiated by OH radicals – a theoretical study

2017 ◽  
Vol 41 (18) ◽  
pp. 10259-10271 ◽  
Author(s):  
S. Ponnusamy ◽  
L. Sandhiya ◽  
K. Senthilkumar
Keyword(s):  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Peroxy Radical ◽  
Ring Closure ◽  
Oh Radicals ◽  
Oh Radical ◽  
Radical Ring ◽  
Atmospheric Fate ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The atmospheric fate of 1,3,5-trimethylbenzene is determined by OH-radical addition, and subsequent bicyclic peroxy radical ring closure and ring breaking pathways.

A theoretical study on the mechanism and kinetics of toxic PCDD destruction by OH radicals

2019 ◽  
Vol 65 (4) ◽  
pp. 337
Author(s):  
Zhengcheng Wen ◽  
Shengji Li ◽  
Heping Li ◽  
Yuan Li
Keyword(s):  
Theoretical Study ◽  
Oh Radicals ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Theoretical study on the reaction mechanism of OH radical with Z(E)-CF3CHCHF

2019 ◽  
Vol 21 (3) ◽  
pp. 1367-1374 ◽  
Author(s):  
Chao Xu ◽  
Chaoyang Wang ◽  
Bo Li ◽  
Linping Hu ◽  
Feng Long Gu
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Study ◽  
Oh Radicals ◽  
Oh Radical ◽  
Transformation Mechanism ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The comprehensive transformation mechanism and kinetics of Z(E)-CF3CHCHF initiated by OH radicals were investigated by performing quantum chemical calculations.

Atmospheric oxidation mechanism and kinetics of 2-bromo-4,6-dinitroaniline by OH radicals – a theoretical study

2019 ◽  
Vol 21 (37) ◽  
pp. 21109-21127
Author(s):  
M. Gnanaprakasam ◽  
G. Saranya ◽  
S. Bandaru ◽  
N. J. English ◽  
K. Senthilkumar
Keyword(s):  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Urban Environments ◽  
Atmospheric Oxidation ◽  
Oh Radicals ◽  
Atmospheric Effects ◽  
Mechanism And Kinetics ◽  
Kinetics Of

2-Bromo-4,6-dinitroaniline (BNA) is identified as a domestic-dust pollutant in urban environments, with deleterious atmospheric effects.

Theoretical study on the mechanism and kinetics of the reaction of 2,2′,4,4′-tetrabrominated diphenyl ether (BDE-47) with OH radicals

2011 ◽  
Vol 45 (8) ◽  
pp. 1525-1531 ◽  
Author(s):  
Haijie Cao ◽  
Maoxia He ◽  
Dandan Han ◽  
Yanhui Sun ◽  
Ju Xie
Keyword(s):  
Theoretical Study ◽  
Diphenyl Ether ◽  
Oh Radicals ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Single atom catalysts supported on N-doped graphene toward fast kinetic Li−S batteries: a theoretical study

2021 ◽  
Author(s):  
Xu Han ◽  
Zeyun Zhang ◽  
Xuefei Xu
Keyword(s):  
Theoretical Study ◽  
Single Atom ◽  
Discharge Process ◽  
Fast Kinetics ◽  
Shuttle Effect ◽  
Sufficient Stability ◽  
Doped Graphene ◽  
Fast Kinetic ◽  
Kinetics Of ◽  
Charge Discharge

To suppress the shuttle effect of lithium polysulfides and promote fast kinetics of charge−discharge process in Li−S batteries, it is essential to search promising catalysts with sufficient stability and high...

scholarly journals Kinetics of Microcystin-LR Removal in a Real Lake Water by UV/H2O2 Treatment and Analysis of Specific Energy Consumption

Toxins ◽  
2020 ◽  
Vol 12 (12) ◽  
pp. 810
Author(s):  
Sabrina Sorlini ◽  
Carlo Collivignarelli ◽  
Marco Carnevale Miino ◽  
Francesca Maria Caccamo ◽  
Maria Cristina Collivignarelli
Keyword(s):  
Energy Consumption ◽  
Specific Energy ◽  
Lake Water ◽  
Harmful Effect ◽  
Specific Energy Consumption ◽  
World Health ◽  
Oh Radicals ◽  
H2o2 Treatment ◽  
Initial Concentration ◽  
Kinetics Of

The hepatotoxin microcystin-LR (MC-LR) represents one of the most toxic cyanotoxins for human health. Considering its harmful effect, the World Health Organization recommended a limit in drinking water (DW) of 1 µg L−1. Due to the ineffectiveness of conventional treatments present in DW treatment plants against MC-LR, advanced oxidation processes (AOPs) are gaining interest due to the high redox potential of the OH• radicals. In this work UV/H2O2 was applied to a real lake water to remove MC-LR. The kinetics of the UV/H2O2 were compared with those of UV and H2O2 showing the following result: UV/H2O2 > UV > H2O2. Within the range of H2O2 tested (0–0.9 mM), the results showed that H2O2 concentration and the removal kinetics followed an increasing quadratic relation. By increasing the initial concentration of H2O2, the consumption of oxidant also increased but, in terms of MC-LR degraded for H2O2 dosed, the removal efficiency decreased. As the initial MC-LR initial concentration increased, the removal kinetics increased up to a limit concentration (80 µg L−1) in which the presence of high amounts of the toxin slowed down the process. Operating with UV fluence lower than 950 mJ cm−2, UV alone minimized the specific energy consumption required. UV/H2O2 (0.3 mM) and UV/H2O2 (0.9 mM) were the most advantageous combination when operating with UV fluence of 950–1400 mJ cm−2 and higher than 1400 mJ cm−2, respectively.

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