Theoretical study on the atmospheric fate of carbonyl radicals: kinetics of decomposition reactions

2001 ◽  
Vol 3 (21) ◽  
pp. 4712 ◽  
Author(s):  
Raphaël Méreau ◽  
Marie-Thérèse Rayez ◽  
Jean-Claude Rayez ◽  
Françoise Caralp ◽  
Robert Lesclaux
Keyword(s):  
Theoretical Study ◽  
Decomposition Reactions ◽  
Atmospheric Fate ◽  
Kinetics Of Decomposition ◽  
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.

Kinetics and Mechanism of Decomposition of 1,3-Bis(4-methylphenyl)triazene Catalyzed with Substituted Benzoic Acids in 25% Aqueous Methanol-General or Specific Catalysis?

1994 ◽  
Vol 59 (9) ◽  
pp. 2029-2041
Author(s):  
Oldřich Pytela ◽  
Taťjana Nevěčná
Keyword(s):  
Benzoic Acids ◽  
Hammett Equation ◽  
Aqueous Methanol ◽  
Mechanism Of Decomposition ◽  
Kinetics Of Decomposition ◽  
Independent Variable ◽  
Amino Derivatives ◽  
Substituted Benzoic Acids ◽  
The Individual ◽  
Kinetics Of

The kinetics of decomposition of 1,3-bis(4-methylphenyl)triazene catalyzed with 13 substituted benzoic acids of various concentrations have been measured in 25 vol.% aqueous methanol at 25.0 °C. The rate constants observed (297 data) have be used as values of independent variable in a series of models of the catalyzed decomposition. For the catalytic particles were considered the undissociated acid, its conjugated base, and the proton in both the specific and general catalyses. Some models presumed formation of reactive or nonreactive complexes of the individual reactants. The substituent effect is described by the Hammett equation. The statistically best model in which the observed rate constant is a superposition of a term describing the dependence on proton concentration and a term describing the dependence on the product of concentrations of proton and conjugated base is valid with the presumption of complete proton transfer from the catalyst acid to substrate, which has been proved. The behaviour of 4-dimethylamino, 4-amino, and 3-amino derivatives is anomalous (lower catalytic activity as compared with benzoic acid). This supports the presumed participation of conjugated base in the title process.

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...

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

scholarly journals Kinetics of cluster growth in polar solutions of fullerene: Experimental and theoretical study of C60/NMP solution

2012 ◽  
Vol 175 ◽  
pp. 4-11 ◽  
Author(s):  
T.V. Tropin ◽  
N. Jargalan ◽  
M.V. Avdeev ◽  
O.A. Kyzyma ◽  
R.A. Eremin ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Cluster Growth ◽  
Kinetics Of ◽  
Polar Solutions

A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase

2001 ◽  
Vol 105 (10) ◽  
pp. 1869-1875 ◽  
Author(s):  
Gabriel Chuchani ◽  
Alexandra Rotinov ◽  
Juan Andrés ◽  
Luís R. Domingo ◽  
V. Sixte Safont
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Unimolecular Decomposition ◽  
Kinetics Of
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