The average cos ΞΈ approach to the theoretical calculation of thermal energy ion-dipolar molecule reaction rate constant
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peer reviewed
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J. Physique Lett.
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A simplified method is presented to compute the average interaction potential of an ion reacting with a dipolar molecule at thermal collision energies. Using this potential and applying the Langevin criteria for capture collisions, an expression for the reaction rate constant is derived. The theoretical rate constant is compared with many experimental data, the results of recent trajectory calculations and the predictions of other theories. It is shown to be in good agreement with experiment and it is found close to other models based on statistical or variational methods. It is also found in good agreement with detailed trajectory calculations.
Description
Keywords
ion molecule reactions -- reaction rate constants -- ion molecule capture collision -- average cos theta approach -- reaction rate constant -- average interaction potential -- thermal collision energies -- Langevin criteria -- capture collisions -- traj
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http://jphyslet.journaldephysique.org/articles/jphyslet/abs/1984/22/jphyslet_1984__45_22_1083_0/jphyslet_1984__45_22_1083_0.html
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en
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Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας