Rate coefficient of CN formation through radiative association: A theoretical study of quantum effects

2009 ◽  
Vol 131 (7) ◽  
pp. 074302 ◽  
Author(s):  
Sergey V. Antipov ◽  
Tobias Sjölander ◽  
Gunnar Nyman ◽  
Magnus Gustafsson
Keyword(s):  
Theoretical Study ◽  
Rate Coefficient ◽  
Quantum Effects ◽  
Radiative Association

scholarly journals An ICR Study of an Association Reaction at Low Pressure

1980 ◽  
Vol 87 ◽  
pp. 305-306
Author(s):  
M.J. Mcewan ◽  
V. G. Anicich ◽  
W.T. Huntress ◽  
P. R. Kemperer ◽  
M. T. Bowers
Keyword(s):  
Pressure Range ◽  
Rate Coefficient ◽  
Low Pressure ◽  
Second Order ◽  
Radiative Association ◽  
Association Reaction

An ICR investigation of the association reactionCH3+ + HCN CH3.HCN+has shown the reaction follows second order kinetics over the pressure range 1 × 10-6 to 3 × 10-4 Torr with a rate coefficient of 2 × 10-10 cm3s-1. These results can be interpreted in terms of a saturated 3-body or radiative association mechanism.

scholarly journals The Influece of The Laser on Acoustic Phonon Amplification in Parabolic Potential Well

2021 ◽  
Author(s):  
Dung Nguyen Tien ◽  
Thuy Do Thanh ◽  
Trung Le Canh
Keyword(s):  
Laser Field ◽  
Acoustic Phonon ◽  
Theoretical Study ◽  
Rate Coefficient ◽  
Intense Laser ◽  
Field Energy ◽  
Potential Well ◽  
Parabolic Potential ◽  
Semiconductor Quantum Well ◽  
Phonon Excitation

Abstract We present a theoretical study of the kinetic equation for acoustic phonons in semiconductor quantum well with parabolic potential well under intense laser field. Using this method, we find the expression for the phonon rate coefficient for the general case, the condition of the acoustic phonon rate and the influence of the parameters of laser on this rate coefficient. We numerically calculate the rate of acoustic phonon excitation by the absorption of laser field energy at different temperature.

Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN

2012 ◽  
Vol 137 (10) ◽  
pp. 104301 ◽  
Author(s):  
Magnus Gustafsson ◽  
Sergey V. Antipov ◽  
Jan Franz ◽  
Gunnar Nyman
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Theoretical Study ◽  
Radiative Association

scholarly journals Rate coefficient and mechanism of the OH-Initiated degradation of cyclobutanol: A combined experimental and theoretical study

2021 ◽  
pp. 118821
Author(s):  
María de los A. Garavagno ◽  
Federico J. Hernández ◽  
Rafael A. Jara-Toro ◽  
Genesys Mahecha ◽  
Javier A. Barrera ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Rate Coefficient

Theoretical study on dielectronic recombination rate coefficient of Rb-like W37+ions

2011 ◽  
Vol 23 (4) ◽  
pp. 1087-1090 ◽  
Author(s):  
张义钊 Zhang Yizhao ◽  
符彦飙 Fu Yanbiao ◽  
董晨钟 Dong Chenzhong ◽  
苏茂根 Su Maogen
Keyword(s):  
Recombination Rate ◽  
Theoretical Study ◽  
Rate Coefficient ◽  
Dielectronic Recombination ◽  
Recombination Rate Coefficient

Formation of CO+ by radiative association II

2020 ◽  
Vol 492 (3) ◽  
pp. 3794-3802
Author(s):  
Martina Zámečníková ◽  
Magnus Gustafsson ◽  
Gunnar Nyman ◽  
Pavel Soldán
Keyword(s):  
Oxygen Atom ◽  
Cross Sections ◽  
Rate Coefficient ◽  
Total Rate ◽  
Temperature Range ◽  
Sn 1987A ◽  
Semiclassical Methods ◽  
Radiative Association ◽  
The Cross

ABSTRACT Radiative association of an oxygen atom with a carbon cation is investigated using quantal and semiclassical methods. The total rate coefficient for spontaneous radiative association of O(2s22p4, 3P) with C+(2s22p, 2P) on the doublet manifold is determined from the corresponding cross-sections. The cross-sections for the ${\rm 1}^2\, \Sigma ^-\rightarrow {\rm A}^2\Pi$, ${\rm 2}^2\, \Sigma ^-\rightarrow {\rm A}^2\Pi$, and ${\rm C}^2\, \Delta \rightarrow {\rm A}^2\Pi$ continuum-bound processes are calculated either semiclassically, in combination with the Breit–Wigner approach, or fully quantum mechanically. In the temperature range 10–10 000 K, our recommended total rate coefficient, obtained from these calculations and the data of Zámečníková et al. (2019), slowly increases from 7.5 × 10−18 cm3s−1 to 2.1 × 10−17 cm3s−1. Corresponding aspects of the CO+ and CO formations in SN 1987A are discussed.

scholarly journals Reaction between CH<sub>3</sub>C(O)OOH (peracetic acid) and OH in the gas phase: a combined experimental and theoretical study of the kinetics and mechanism

2020 ◽  
Vol 20 (21) ◽  
pp. 13541-13555
Author(s):  
Matias Berasategui ◽  
Damien Amedro ◽  
Luc Vereecken ◽  
Jos Lelieveld ◽  
John N. Crowley
Keyword(s):  
Gas Phase ◽  
Peracetic Acid ◽  
Theoretical Study ◽  
Rate Coefficient ◽  
Theoretical Calculations ◽  
Title Reaction ◽  
Upper Troposphere ◽  
Reaction Proceeds ◽  
Kinetics Of ◽  
Good Agreement

Abstract. Peracetic acid (CH3C(O)OOH) is one of the most abundant organic peroxides in the atmosphere; yet the kinetics of its reaction with OH, believed to be the major sink, have only been studied once experimentally. In this work we combine a pulsed-laser photolysis kinetic study of the title reaction with theoretical calculations of the rate coefficient and mechanism. We demonstrate that the rate coefficient is orders of magnitude lower than previously determined, with an experimentally derived upper limit of 4×10-14 cm3 molec.−1 s−1. The relatively low rate coefficient is in good agreement with the theoretical result of 3×10-14 cm3 molec.−1 s−1 at 298 K, increasing to ∼6×10-14 cm3 molec.−1 s−1 in the cold upper troposphere but with associated uncertainty of a factor of 2. The reaction proceeds mainly via abstraction of the peroxidic hydrogen via a relatively weakly bonded and short-lived prereaction complex, in which H abstraction occurs only slowly due to a high barrier and low tunnelling probabilities. Our results imply that the lifetime of CH3C(O)OOH with respect to OH-initiated degradation in the atmosphere is of the order of 1 year (not days as previously believed) and that its major sink in the free and upper troposphere is likely to be photolysis, with deposition important in the boundary layer.

Ab initio determination of the rate coefficient for radiative association of

1995 ◽  
Vol 193 (3) ◽  
pp. 287-296 ◽  
Author(s):  
M. Juřek ◽  
V. Špirko ◽  
W.P. Kraemer
Keyword(s):  
Ab Initio ◽  
Rate Coefficient ◽  
Radiative Association
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