Approximate phase-space transport theory for vibrational predissociation

Buchachenko, A. A.; Stepanov, N. F.
April 1993
Journal of Chemical Physics;4/1/1993, Vol. 98 Issue 7, p5486
Academic Journal
Approximate version of the phase-space transport theory for vibrational predissociation of the van der Waals complexes with two degrees of freedom is proposed and tested. The theory uses the concept of phase-space bottlenecks which govern the phase-point stochastic diffusion. The global transport is treated as a sequence of the transitions across the bottlenecks within a kineticlike model. Simplified formulas for the transition probabilities across dissociation separatrix (intermolecular bottleneck) and Golden cantori (intramolecular bottlenecks) are obtained under the zeroth-order approximation. Applications to some model complexes indicate the ability of the model to reproduce correctly individual bottleneck parameters as well as the total predissociation rates. Some observations concerning the multibottleneck kinetic models are discussed.


Related Articles

  • An approach to calculation of the viscosity of dissociated gas mixtures formed from oxygen, nitrogen, and carbon. Gorskii, V.; Fedorov, S. // Journal of Engineering Physics & Thermophysics;Sep2007, Vol. 80 Issue 5, p948 

    The results of the solution of an optimization problem on coordination of the widely used data on the viscosity of individual substances and air as a whole are presented. The proposed method of correction of literature data on the viscosity of the components of air mixtures is used to estimate...

  • Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar. Martínez-Núñez, Emilio; Vázquez, Saulo A.; Marques, Jorge M. C. // Journal of Chemical Physics;8/8/2004, Vol. 121 Issue 6, p2571 

    Quasiclassical trajectory calculations were carried out to study the dynamics of energy transfer and collision-induced dissociation (CID) of CH3SH++Ar at collision energies ranging from 4.34 to 34.7 eV. The relative abundances calculated for the most relevant product ions are found to be in good...

  • Consideration of the vibrationally linked molecular dissociation model based on the kinetic theory. Yano, Ryosuke; Suzuki, Kojiro; Kuroda, Hisayasu // AIP Conference Proceedings;2005, Vol. 762 Issue 1, p1079 

    In recent year, the remarkable development of high performance computing gradually makes it possible to simulate hyper-dimensional distribution function, which constitutes of Boltzmann equation or other model equations. Our interests exist in formulation of molecular dissociation process with...

  • Kinetic description of finite-wall catalysis for monatomic molecular recombination. Yano, Ryosuke; Suzuki, Kojiro // Physics of Fluids;Nov2011, Vol. 23 Issue 11, p117101 

    In our previous study on hypothetical diatomic molecular dissociation and monatomic molecular recombination, A2 + M ↔ A + A + M [Yano et al., Phys. Fluids 21, 127101 (2009)], the interaction between the wall and A2* intermediates was not formulated. In this paper, we consider the effect...

  • 2D gasdynamic simulation of the kinetics of an oxygen-iodine laser with electric-discharge generation of singlet oxygen. Chukalovsky, A.; Rakhimova, T.; Klopovsky, K.; Mankelevich, Yu.; Proshina, O. // Plasma Physics Reports;Mar2011, Vol. 37 Issue 3, p251 

    The kinetic processes occurring in an electric-discharge oxygen-iodine laser are analyzed with the help of a 2D ( r, z) gasdynamic model taking into account transport of excited oxygen, singlet oxygen, and radicals from the electric discharge and their mixing with the iodine-containing gas. The...

  • First principles transport coefficients and reaction rates of Ar2+ ions in argon for cold plasma jet modeling. Chicheportiche, Alexandre; Stachon, Martin; Benhenni, Malika; Gadéa, Florent Xavier; Kalus, René; Yousf, Mohammed // Journal of Chemical Physics;10/7/2014, Vol. 141 Issue 13, p1 

    Momentum-transfer collision cross-sections and integral collision cross-sections for the collisioninduced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a...

  • The nature of memory processes underlying recognition judgements in the process dissociation... Buchner, Axel; Erdfelder, Edgar // Memory & Cognition;Jul97, Vol. 25 Issue 4, p508 

    Examines the involvement of memory processes in recognition judgments in the process dissociation procedure. What is tested in the process; How source-monitoring response categories can be mapped into process dissociation.

  • Mass spectrometric measurement of molecular dissociation in inductively coupled plasmas. Wang, Yicheng; Van Brunt, R.J.; Olthoff, J. K. // Journal of Applied Physics;1/15/1998, Vol. 83 Issue 2, p703 

    Presents an experiment which measures the dissociation fraction of molecules in radio frequency, planar, inductively coupled plasmas for mixtures of oxygen, nitrogen, sulfur hexafluoride and chlorine in argon. Information on plasma enhanced etching and deposition; Results of and discussion on...

  • Diffraction Dissociation — 50 Years later. White, Sebastian N.; Smith, W. H.; Dasu, S. R. // AIP Conference Proceedings;2005, Vol. 792 Issue 1, p527 

    Focuses on the study that deuteron breakup could also proceed via a process called free dissociation which has no analog. Observation that both Coulomb dissociation and nuclear dissociation should have analogs; Role of diffractive processes in both Coulomb interactions and hadronic collisions.


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics