Arrhenius parameters for the gas-phase reactions of O3 with two butenes and two methyl-substituted butenes over the temperature range of 295-351 K

2011 ◽  
Vol 43 (5) ◽  
pp. 238-246 ◽  
Author(s):  
Yuzhen Shi ◽  
Yongfu Xu ◽  
Long Jia
Keyword(s):  
Gas Phase ◽  
Gas Phase Reactions ◽  
Arrhenius Parameters ◽  
Temperature Range

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.

The gas phase reactions of hydroxyl radicals with a series of aliphatic ethers over the temperature range 240-440 K

1988 ◽  
Vol 20 (1) ◽  
pp. 41-49 ◽  
Author(s):  
Timothy J. Wallington ◽  
Renzhang Liu ◽  
Philippe Dagaut ◽  
Michael J. Kurylo
Keyword(s):  
Gas Phase ◽  
Hydroxyl Radicals ◽  
Gas Phase Reactions ◽  
Temperature Range ◽  
Aliphatic Ethers

Rate constants for the gas-phase reactions of cyclo-CXCXCF2CF2– (X=H, F) with OH radicals at a temperature range of 253–328K

2013 ◽  
Vol 572 ◽  
pp. 21-25 ◽  
Author(s):  
Xiaoqing Jia ◽  
Liang Chen ◽  
Junji Mizukado ◽  
Shuzo Kutsuna ◽  
Kazuaki Tokuhashi
Keyword(s):  
Gas Phase ◽  
Rate Constants ◽  
Oh Radicals ◽  
Gas Phase Reactions ◽  
Temperature Range
Sign in / Sign up

Export Citation Format

Share Document