VV and VT rate coefficients in H 2 by a quantum-classical model

Abstract

Vibration—vibration (V—V) and vibration—translation/rotation (VT/R) rate coefficients for H 2H 2 collisions are calculated by a semi-classical 3-dimensional model. The model used treats the translational and rotational motion classically while treating the vibrational motion quantum mechanically. The effects of both the long range and short range interaction potential is included in the model. The results obtained for the VT/R processes are in good agreement with available experimental data over the temperature range of 200–800 K and predicts considerably faster scaling with increasing vibrational level than expected from harmonic oscillator models. Non-resonant and multi-quantum VV rate coefficients show substantial disagreement with earlier collinear collision models both in magnitude and scaling with increasing vibrational level.