Temperature‐dependent rate coefficients for the gas‐phase OH + furan‐2,5‐dione (C 4 H 2 O 3 , maleic anhydride) reaction

2020 ◽  
Vol 52 (10) ◽  
pp. 623-631 ◽  
Author(s):  
Aparajeo Chattopadhyay ◽  
Vassileios C. Papadimitriou ◽  
Paul Marshall ◽  
James B. Burkholder
Keyword(s):  
Maleic Anhydride ◽  
Gas Phase ◽  
Rate Coefficients ◽  
Temperature Dependent ◽  
Dependent Rate

Gas-phase ozonolysis of β-ocimene: Temperature dependent rate coefficients and product distribution

2016 ◽  
Vol 147 ◽  
pp. 46-54 ◽  
Author(s):  
Elizabeth Gaona-Colmán ◽  
María B. Blanco ◽  
Ian Barnes ◽  
Mariano A. Teruel
Keyword(s):  
Gas Phase ◽  
Product Distribution ◽  
Rate Coefficients ◽  
Temperature Dependent ◽  
Dependent Rate

Temperature Dependent Rate Coefficients for the Gas-Phase Reaction of the OH Radical with Linear (L2, L3) and Cyclic (D3, D4) Permethylsiloxanes

2018 ◽  
Vol 122 (17) ◽  
pp. 4252-4264 ◽  
Author(s):  
François Bernard ◽  
Dimitrios K. Papanastasiou ◽  
Vassileios C. Papadimitriou ◽  
James B. Burkholder
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Phase Reaction ◽  
Oh Radical ◽  
Temperature Dependent ◽  
Gas Phase Reaction ◽  
Dependent Rate

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.

Temperature-dependent rate coefficients and mechanism for the gas-phase reaction of chlorine atoms with acetone

2010 ◽  
Vol 42 (12) ◽  
pp. 724-734 ◽  
Author(s):  
Manolis N. Romanias ◽  
Vassileios G. Stefanopoulos ◽  
Dimitrios K. Papanastasiou ◽  
Vassileios C. Papadimitriou ◽  
Panos Papagiannakopoulos
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Phase Reaction ◽  
Temperature Dependent ◽  
Chlorine Atoms ◽  
Gas Phase Reaction ◽  
Dependent Rate

Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones

2015 ◽  
Vol 639 ◽  
pp. 145-150 ◽  
Author(s):  
Iustinian Bejan ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
John C. Wenger
Keyword(s):  
Rate Coefficients ◽  
Oh Radicals ◽  
Temperature Dependent ◽  
Dependent Rate

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.

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.

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