Non-equilibrium rate coefficients and isotope effect with bimolecular ion-(polar) molecule reactions in xenon

1986 ◽  
Vol 70 (5) ◽  
pp. 357-364 ◽  
Author(s):  
Wolfgang Stiller ◽  
Reinhard Schuster ◽  
Rainer Schmidt
Keyword(s):  
Isotope Effect ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Non Equilibrium

Non-equilibrium ion-(polar) molecule reaction rate coefficients

1985 ◽  
Vol 28 (2) ◽  
pp. 353-357 ◽  
Author(s):  
R. Schmidt ◽  
R. Schuster ◽  
W. Stiller
Keyword(s):  
Reaction Rate ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Molecule Reaction ◽  
Non Equilibrium

Non-equilibrium kinetics of bimolecular reactions. Part 6. Transient rate coefficients

1994 ◽  
Vol 72 (3) ◽  
pp. 714-720
Author(s):  
Chris Carruthers ◽  
Heshel Teitelbaum
Keyword(s):  
Population Distribution ◽  
Bimolecular Reaction ◽  
Rate Coefficients ◽  
Exchange Reactions ◽  
Equilibrium Conditions ◽  
Bimolecular Reactions ◽  
Wide Range ◽  
Vibrational Population ◽  
Kinetics Of ◽  
Non Equilibrium

The master equation is solved numerically for the time dependence of the vibrational level populations of HCl (treated as a simple harmonic oscillator) during the bimolecular exchange reaction, Br + HCl → HBr + Cl, taking into account the competition between reaction and vibrational equilibration subject to Landau–Teller T–V excitation. Strong deviations from Boltzmann distributions are found. A wide range of reactant concentrations, diluent concentrations and temperatures were explored. It was found that no significant reaction occurs before the establishment of a steady vibrational population distribution, confirming that the rate coefficient for non-equilibrium bimolecular exchange reactions can be determined from a simple analytical steady state treatment (J. Chem. Soc. Faraday Trans. 87, 229 (1991)). The rate of an isolated elementary bimolecular reaction, A + BC → AB + C, under non-equilibrium conditions can deviate seriously from the standard expression, Keq [A][BC], and is better given by the law[Formula: see text]where [R] is the concentration of the collisional equilibrator, R, and a and g are constants depending only on temperature. This generalized rate law describes not only the initial rate but also the rate all the way up to completion, in the absence of the reverse reaction.

scholarly journals Ion-Molecule Reaction Studies below 80 K by the CRESU Technique

1987 ◽  
Vol 120 ◽  
pp. 19-23
Author(s):  
J. B. Marquette ◽  
B. R. Rowe ◽  
G. Dupeyrat ◽  
G. Poissant
Keyword(s):  
Low Temperatures ◽  
Reaction Rate ◽  
Thermal Conditions ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Third Body ◽  
Basic Principles ◽  
Molecule Reaction

The basic principles of the CRESU technique (Cinétique de Réactions en Ecoulement Supersonique Uniforme) are presented. This technique allows ion-molecule reaction rate coefficients under true thermal conditions at interstellar temperatures. Various behaviors of both third-body association and binary reactions with temperature have been observed, including ion-polar molecule reactions whose rate coefficients sharply increase at very low temperatures.

Kinetic origin of the ozone isotope effect: a critical analysis of enrichments and rate coefficients

2001 ◽  
Vol 3 (21) ◽  
pp. 4718-4721 ◽  
Author(s):  
Christof Janssen ◽  
Jürgen Guenther ◽  
Konrad Mauersberger ◽  
Dieter Krankowsky
Keyword(s):  
Isotope Effect ◽  
Critical Analysis ◽  
Rate Coefficients

Ultrafast geometrical reorganization of a methane cation upon a sudden ionization: An isotope effect in electronic non equilibrium quantum dynamics

2021 ◽  
Author(s):  
Cayo C. M. Goncalves ◽  
Raphael D. Levine ◽  
Francoise Remacle
Keyword(s):  
Isotope Effect ◽  
Quantum Dynamics ◽  
Jahn Teller ◽  
Electronic Coherence ◽  
Non Equilibrium

An ultrafast structural, Jahn-Teller (JT) driven, electronic coherence mediated quantum dynamics in the CH4+ and CD4+ cations that follows a sudden ionization by an XUV attopulse, exhibits a strong isotope...

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