scholarly journals Computed Rate Coefficients and Product Yields forc-C5H5+ CH3→ Products

2009 ◽  
Vol 113 (31) ◽  
pp. 8871-8882 ◽  
Author(s):  
Sandeep Sharma ◽  
William H. Green
Keyword(s):  
Rate Coefficients ◽  
Product Yields

Reaction of OH with HO2NO2(Peroxynitric Acid):  Rate Coefficients between 218 and 335 K and Product Yields at 298 K

2004 ◽  
Vol 108 (7) ◽  
pp. 1139-1149 ◽  
Author(s):  
Elena Jiménez ◽  
Tomasz Gierczak ◽  
Harald Stark ◽  
James B. Burkholder ◽  
A. R. Ravishankara
Keyword(s):  
Rate Coefficients ◽  
Product Yields ◽  
Peroxynitric Acid

Pressure dependence of the rate coefficients and product yields for the reaction of CH3CO radicals with O2

1997 ◽  
Vol 29 (9) ◽  
pp. 655-663 ◽  
Author(s):  
Geoffrey S. Tyndall ◽  
John J. Orlando ◽  
Timothy J. Wallington ◽  
Michael D. Hurley
Keyword(s):  
Pressure Dependence ◽  
Rate Coefficients ◽  
Product Yields

scholarly journals Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

2021 ◽  
Author(s):  
Niklas Illmann ◽  
Rodrigo Gastón Gibilisco ◽  
Iustinian Gabriel Bejan ◽  
Iulia Patroescu-Klotz ◽  
Peter Wiesen
Keyword(s):  
Radical Reaction ◽  
Rate Coefficients ◽  
Organic Nitrates ◽  
Oh Radicals ◽  
Oh Radical ◽  
Peroxyacetyl Nitrate ◽  
Unsaturated Ketones ◽  
Product Yields ◽  
Mechanistic Investigation ◽  
Cl Atoms

Abstract. The OH radical initiated oxidation of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one was investigated in two atmospheric simulation chambers at 298 ± 3 K and 990 ± 15 mbar using long-path FTIR spectroscopy. The rate coefficients of the reactions of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one with OH radicals were determined to be (6.5 ± 1.2) × 10−11 cm3 molecule−1 s−1 and (8.1 ± 1.3) × 10−11 cm3 molecule−1 s−1, respectively. To enlarge the kinetics data pool the rate coefficients of the target species with Cl atoms were determined to be (2.8 ± 0.4) × 10−10 cm3 molecule−1 s−1 and (3.1 ± 0.4) × 10−10 cm3 molecule−1 s−1, respectively. The mechanistic investigation of the OH initiated oxidation focuses on the RO2 + NO reaction. The quantified products were acetoin, acetaldehyde, biacetyl, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 3-methyl-3-penten-2-one with OH radicals and acetone, methyl glyoxal, 2-hydroxy-2-methylpropanal, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 4-methyl-3-penten-2-one with OH, respectively. Based on the calculated product yields an upper limit of 0.15 was determined for the overall organic nitrates (RONO2) yield derived from the OH reaction of 4-methyl-3-penten-2-one. By contrast, no RONO2 formation was observed for the OH reaction of 3-methyl-3-penten-2-one. Additionally, a simple model is presented to correct product yields for secondary processes.

scholarly journals Atmospheric oxidation of <i>α</i>,<i>β</i>-unsaturated ketones: kinetics and mechanism of the OH radical reaction

2021 ◽  
Vol 21 (17) ◽  
pp. 13667-13686
Author(s):  
Niklas Illmann ◽  
Rodrigo Gastón Gibilisco ◽  
Iustinian Gabriel Bejan ◽  
Iulia Patroescu-Klotz ◽  
Peter Wiesen
Keyword(s):  
Radical Reaction ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Oh Radical ◽  
Methyl Glyoxal ◽  
Peroxyacetyl Nitrate ◽  
Unsaturated Ketones ◽  
Product Yields ◽  
Mechanistic Investigation ◽  
Cl Atoms

Abstract. The OH-radical-initiated oxidation of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one was investigated in two atmospheric simulation chambers at 298±3 K and 990±15 mbar using long-path FTIR spectroscopy. The rate coefficients of the reactions of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one with OH radicals were determined to be (6.5±1.2)×10-11 and (8.1±1.3)×10-11 cm3molecule-1s-1, respectively. To enlarge the kinetics data pool the rate coefficients of the target species with Cl atoms were determined to be (2.8±0.4)×10-10 and (3.1±0.4)×10-10 cm3molecule-1s-1, respectively. The mechanistic investigation of the OH-initiated oxidation focuses on the RO2+NO reaction. The quantified products were acetoin, acetaldehyde, biacetyl, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 3-methyl-3-penten-2-one with OH radicals and acetone, methyl glyoxal, 2-hydroxy-2-methylpropanal, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 4-methyl-3-penten-2-one with OH, respectively. Based on the calculated product yields an upper limit of 0.15 was determined for the yield of RONO2 derived from the OH reaction of 4-methyl-3-penten-2-one. By contrast, no RONO2 formation was observed for the OH reaction of 3-methyl-3-penten-2-one. Additionally, a simple model is presented to correct product yields for secondary processes.

scholarly journals Gas-phase degradation of 2-butanethiol initiated by OH radicals and Cl atoms: kinetics, product yields and mechanism at 298 K and atmospheric pressure

RSC Advances ◽  
2019 ◽  
Vol 9 (39) ◽  
pp. 22618-22626
Author(s):  
Alejandro L. Cardona ◽  
Rodrigo G. Gibilisco ◽  
María B. Blanco ◽  
Peter Wiesen ◽  
Mariano Teruel
Keyword(s):  
Gas Phase ◽  
Atmospheric Pressure ◽  
Relative Rate ◽  
Product Distribution ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Product Yields ◽  
Cl Atoms ◽  
Relative Rate Coefficients

Relative rate coefficients and product distribution of the reaction of 2-butanethiol (2butSH) with OH radicals and Cl atoms were obtained at atmospheric pressure and 298 K.

scholarly journals OH- and O3-initiated atmospheric degradation of camphene: temperature dependent rate coefficients, product yields and mechanisms

RSC Advances ◽  
2017 ◽  
Vol 7 (5) ◽  
pp. 2733-2744 ◽  
Author(s):  
Elizabeth Gaona-Colmán ◽  
María B. Blanco ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
Mariano A. Teruel
Keyword(s):  
Gas Phase ◽  
Relative Rate ◽  
Rate Coefficients ◽  
Temperature Dependent ◽  
Product Yields ◽  
Temperature Range ◽  
Dependent Rate ◽  
Atmospheric Degradation ◽  
Rate Method

Gas-phase rate coefficients for the reactions of OH and O3 with camphene have been measured over the temperature range 288–311 K using the relative rate method.

A New AID for Interpolating and Assessing Collision Strengths and Rate Coefficients

1988 ◽  
Vol 102 ◽  
pp. 107-110
Author(s):  
A. Burgess ◽  
H.E. Mason ◽  
J.A. Tully
Keyword(s):  
Significant Loss ◽  
Impact Excitation ◽  
Rate Coefficients ◽  
Electron Impact Excitation ◽  
Graphical Display ◽  
Practical Procedure ◽  
Positive Ions ◽  
Allowed Transition ◽  
Computational Errors ◽  
Existing Data

AbstractA new way of critically assessing and compacting data for electron impact excitation of positive ions is proposed. This method allows one (i) to detect possible printing and computational errors in the published tables, (ii) to interpolate and extrapolate the existing data as a function of energy or temperature, and (iii) to simplify considerably the storage and transfer of data without significant loss of information. Theoretical or experimental collision strengths Ω(E) are scaled and then plotted as functions of the colliding electron energy, the entire range of which is conveniently mapped onto the interval (0,1). For a given transition the scaled Ω can be accurately represented - usually to within a fraction of a percent - by a 5 point least squares spline. Further details are given in (2). Similar techniques enable thermally averaged collision strengths upsilon (T) to be obtained at arbitrary temperatures in the interval 0 &lt; T &lt; ∞. Application of the method is possible by means of an interactive program with graphical display (2). To illustrate this practical procedure we use the program to treat Ω for the optically allowed transition 2s → 2p in ArXVI.

Electron impact excitation of Al XIII : Collision strengths and rate coefficients

2001 ◽  
Vol 11 (PR2) ◽  
pp. Pr2-309-Pr2-312
Author(s):  
K. M. Aggarwal ◽  
F. P. Keenan ◽  
S. J. Rose
Keyword(s):  
Electron Impact ◽  
Impact Excitation ◽  
Rate Coefficients ◽  
Electron Impact Excitation
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