Aging Oxidation Reactions on Atmospheric Black Carbon by OH Radicals. A Theoretical Modeling Study

2015 ◽  
Vol 119 (52) ◽  
pp. 13038-13047 ◽  
Author(s):  
Laura Rojas ◽  
Alexander Peraza ◽  
Fernando Ruette
Keyword(s):  
Black Carbon ◽  
Theoretical Modeling ◽  
Oh Radicals ◽  
Oxidation Reactions ◽  
Modeling Study

scholarly journals Theoretical modeling study of the reaction H + CF 4 → HF + CF 3

2021 ◽  
Author(s):  
Carlos J. Cobos ◽  
Gary Knight ◽  
Paul Marshall ◽  
Jürgen Troe
Keyword(s):  
Theoretical Modeling ◽  
Modeling Study

Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

2010 ◽  
Vol 271 (2) ◽  
pp. 325-342 ◽  
Author(s):  
Donghai Mei ◽  
Roger Rousseau ◽  
Shawn M. Kathmann ◽  
Vassiliki-Alexandra Glezakou ◽  
Mark H. Engelhard ◽  
...  
Keyword(s):  
Theoretical Modeling ◽  
Ethanol Synthesis ◽  
Modeling Study

Experimental and theoretical modeling study on the infrared properties of ZrB2 thin film

2020 ◽  
Vol 709 ◽  
pp. 138140 ◽  
Author(s):  
Min Zhang ◽  
Xiaodong Ma ◽  
Juhang Yin ◽  
Yin Zhang ◽  
Li Zhang ◽  
...  
Keyword(s):  
Thin Film ◽  
Theoretical Modeling ◽  
Modeling Study

Effect of albumin mediated clustering on the magnetic behavior of MnFe2O4 nanoparticles: experimental and theoretical modeling study

2019 ◽  
Vol 31 (2) ◽  
pp. 025707 ◽  
Author(s):  
Marianna Vasilakaki ◽  
Nikolaos Ntallis ◽  
Mariangela Bellusci ◽  
Francesca Varsano ◽  
Roland Mathieu ◽  
...  
Keyword(s):  
Magnetic Behavior ◽  
Theoretical Modeling ◽  
Mnfe2o4 Nanoparticles ◽  
Modeling Study

Ground and excited state properties of naphthazarin: Absorption spectroscopy and theoretical modeling study

2007 ◽  
Vol 803 (1-3) ◽  
pp. 79-87 ◽  
Author(s):  
M. Savko ◽  
S. Kaščáková ◽  
P. Mojzeš ◽  
D. Jancura ◽  
P. Miškovský ◽  
...  
Keyword(s):  
Excited State ◽  
Absorption Spectroscopy ◽  
Theoretical Modeling ◽  
Modeling Study

scholarly journals Artifacts in measuring aerosol uptake kinetics: the roles of time, concentration and adsorption

2011 ◽  
Vol 11 (14) ◽  
pp. 6881-6893 ◽  
Author(s):  
L. H. Renbaum ◽  
G. D. Smith
Keyword(s):  
Reaction Time ◽  
Gas Phase ◽  
Separate Flow ◽  
Oh Radicals ◽  
Oxidation Reactions ◽  
Radical Chain ◽  
Atmospheric Reactions ◽  
Radical Concentration ◽  
High Concentrations ◽  
Kinetics Of

Abstract. In laboratory studies of organic aerosol particles reacting with gas-phase oxidants, high concentrations of radicals are often used to study on the timescale of seconds reactions which may be occurring over days or weeks in the troposphere. Implicit in this approach is the assumption that radical concentration and time are interchangeable parameters, though this has not been established. Here, the kinetics of OH- and Cl-initiated oxidation reactions of model single-component liquid (squalane) and supercooled (brassidic acid and 2-octyldodecanoic acid) organic aerosols are studied by varying separately the radical concentration and the reaction time. Two separate flow tubes with residence times of 2 and 66 s are used, and [OH] and [Cl] are varied by adjusting either the laser photolysis fluence or the radical precursor concentration ([O3] or [Cl2], respectively) used to generate the radicals. It is found that the rates measured by varying the radical concentration and the reaction time are equal only if the precursor concentrations are the same in the two approaches. Further, the rates depend on the concentrations of the precursor species with a Langmuir-type functional form suggesting that O3 and Cl2 saturate the surface of the liquid particles. It is believed that the presence of O3 inhibits the rate of OH reaction, perhaps by reacting with OH radicals or by O3 or intermediate species blocking surface sites, while Cl2 enhances the rate of Cl reaction by participating in a radical chain mechanism. These results have important implications for laboratory experiments in which high concentrations of gas-phase oxidants are used to study atmospheric reactions over short timescales and may explain the variability in recent measurements of the reactive uptake of OH on squalane particles in reactor systems used in this and other laboratories.

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