The average cos δ approach to the theoretical calculation of thermal energy ion-dipolar molecule reaction rate constant

Abstract

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 Presentation d'une methode simplifiee pour le calcul du potentiel d'interaction moyen entre un ion et une molecule polaire, qui reagissent, avec energies thermiques. Calcul de la constante de vitesse de reaction a l'aide de ce potentiel et des criteres de Langevin pour les collisions avec capture. Bon accord avec des donnees experimentales et theoriques anterieures