scholarly journals Degradation of a series of fluorinated acrylates and methacrylates initiated by OH radicals at different temperatures

RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4264-4273
Author(s):  
P. Lugo García ◽  
C. B. Rivela ◽  
R. G. Gibilisco ◽  
S. Salgado ◽  
P. Wiesen ◽  
...  
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Gas Phase Reactions ◽  
P Rate ◽  
Different Temperatures ◽  
First Time ◽  
Fluorinated Acrylates

Rate coefficients for the gas-phase reactions of OH radicals with a series of fluorinated acrylates and methacrylates have been measured for the first time as a function of temperature in the range 290–308 K.

scholarly journals Atmospheric sink of methyl chlorodifluoroacetate and ethyl chlorodifluoroacetate: temperature dependent rate coefficients, product distribution of their reactions with Cl atoms and CF2ClC(O)OH formation

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 51834-51844
Author(s):  
María B. Blanco ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
Mariano A. Teruel
Keyword(s):  
Relative Rate ◽  
Product Distribution ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Dependent Rate ◽  
P Rate ◽  
Distribution Studies ◽  
First Time ◽  
Cl Atoms

Rate coefficients as a function of temperature and product distribution studies have been performed for the first time for the gas-phase reactions of chlorine atoms with methyl chlorodifluoracetate (k1) and ethyl chlorodifluoroacetate (k2) using the relative rate technique.

Rate coefficients for the gas-phase reactions of OH radicals with methylbutenols at 298 K

2004 ◽  
Vol 36 (7) ◽  
pp. 379-385 ◽  
Author(s):  
Takashi Imamura ◽  
Yumi Iida ◽  
Kinichi Obi ◽  
Ikue Nagatani ◽  
Kazumichi Nakagawa ◽  
...  
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Gas Phase Reactions

scholarly journals Atmospheric sink of β-ocimene and camphene initiated by Cl atoms: kinetics and products at NOxfree-air

RSC Advances ◽  
2018 ◽  
Vol 8 (48) ◽  
pp. 27054-27063 ◽  
Author(s):  
Elizabeth Gaona-Colmán ◽  
María B. Blanco ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
Mariano A. Teruel
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
P Rate ◽  
Cl Atoms

Rate coefficients for the gas-phase reactions of Cl atoms with β-ocimene and camphene were determined to be (in units of 10−10cm3per molecule per s) 5.5 ± 0.7 and 3.3 ± 0.4, respectively.

scholarly journals Atmospheric fate of two relevant unsaturated ketoethers: kinetics, products and mechanisms for the reaction of hydroxyl radicals with (<i>E</i>)-4-methoxy-3-buten-2-one and 1-(<i>E</i>)-1-methoxy-2-methyl-1-penten-3-one

2020 ◽  
Author(s):  
Rodrigo Gastón Gibilisco ◽  
Ian Barnes ◽  
Iustinian Gabriel Bejan ◽  
Peter Wiesen
Keyword(s):  
Gas Phase ◽  
Hydroxyl Radicals ◽  
Relative Rate ◽  
Reaction Chamber ◽  
Oxidation Products ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Ozone Formation Potential ◽  
Nitrogen Containing Compounds ◽  
First Time

Abstract. The kinetics of the gas-phase reactions of hydroxyl radicals with two unsaturated methoxy-ketones at (298 ± 3) K and 1 atm of synthetic air have been studied for the first time using the relative rate technique in an environmental reaction chamber by in situ FTIR spectrometry. The rate coefficients obtained using propene and isobutene as reference compounds were (in units of 10–10 cm3 molecule−1 s−1) as follows: k1(OH + (E)-4-methoxy-3-buten-2-one) = (1.42 ± 0.12), and k2(OH + 1-(E)-1-methoxy-2-methyl-1-penten-3-one) = (3.34 ± 0.43). In addition, quantification of the main oxidation products has been performed and degradation mechanisms for these reactions were developed. The formation products and kinetic data confirm that the reactions proceed mainly via an addition of the OH radical to the double bond. Gas phase products, identified and quantified from these reactions, are carbonyls like methyl formate, methyl glyoxal and 2,3-pentanedione and long-lived nitrogen containing compounds such as PAN and PPN. Atmospheric lifetimes and the ozone formation potential have been estimated and possible atmospheric implications assessed.

Relative kinetic measurements of rate coefficients for the gas-phase reactions of Cl atoms and OH radicals with a series of methyl alkyl esters

2010 ◽  
Vol 44 (40) ◽  
pp. 5407-5414 ◽  
Author(s):  
Nicole Schütze ◽  
Xiaoyin Zhong ◽  
Stefan Kirschbaum ◽  
Iustinian Bejan ◽  
Ian Barnes ◽  
...  
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Alkyl Esters ◽  
Gas Phase Reactions ◽  
Kinetic Measurements ◽  
Relative Kinetic ◽  
Cl Atoms

Effect of NOx on product yields and Arrhenius parameters of gas-phase oxidation of β-ocimene initiated by OH˙ radicals

RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 92795-92803 ◽  
Author(s):  
Elizabeth Gaona-Colmán ◽  
María B. Blanco ◽  
Ian Barnes ◽  
Mariano A. Teruel
Keyword(s):  
Gas Phase ◽  
Total Pressure ◽  
Addition Product ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Phase Oxidation ◽  
P Rate ◽  
Gas Phase Oxidation

Rate coefficients for the gas-phase reaction of OH˙ radicals with β-ocimene were measured over the temperature range 288–311 K at 760 Torr total pressure of nitrogen. In addition, product studies have been performed in the absence and presence of NOx.

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

scholarly journals Experimental and computational kinetics investigations for the reactions of Cl atoms with series of unsaturated ketones in gas phase

2017 ◽  
Author(s):  
Siripina Vijayakumar ◽  
Avinash Kumar ◽  
Balla Rajakuma
Keyword(s):  
Gas Phase ◽  
State Theory ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Unsaturated Ketones ◽  
Temperature Range ◽  
Computational Calculations ◽  
Temperature Rate ◽  
Cl Atoms

Abstract. Temperature dependent rate coefficients for the gas phase reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one were measured over the temperature range of 298–363 K relative to 1-pentene, 1,3-butadiene and isoprene. Gas Chromatography (GC) was used to measure the concentrations of the organics. The derived temperature dependent Arrhenius expressions are k4-hexen-3-one+Cl (298–363 K) = (2.82 ± 1.76)×10−12exp [(1556 ± 438)/T] cm3 molecule−1 s−1 and k5-hexen-2-one+Cl (298–363 K) = (4.6 ± 2.4)×10−11exp[(646 ± 171)/T] cm3 molecule−1 s−1. The corresponding room temperature rate coefficients are (5.54 ± 0.41)×10−10 cm3 molecule−1 s−1 and (4.00 ± 0.37)×10−10 cm3 molecule−1 s−1 for the reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one respectively. To understand the mechanism of Cl atom reactions with unsaturated ketones, computational calculations were performed for the reactions of Cl atoms with 4-hexen-3-one, 5-hexen-2-one and 3-penten-2-one over the temperature range of 275–400 K using Canonical Variational Transition state theory (CVT) with Small Curvature Tunneling (SCT) in combination with CCSD(T)/6-31+G(d, p)//MP2/6-311++G(d, p) level of theory. Atmospheric implications, reaction mechanism and feasibility of the title reactions are discussed in this manuscript.

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