Cross sections for the vibrational excitation of H2O by collision with H2O and H2 have been calculated by numerical solution of the appropriate scattering equations.
The angle-dependent interaction potentials generated by the dipole moment of the H2O molecule have been replaced with approximate, spherically symmetric functions obtained by statistically averaging the potentials over all orientations of the colliding particles.
Coupling has been retained between five vibrational states variously distributed between the three normal vibrational modes of the non-linear H2O molecule and cross sections are calculated for collision energies up to 2 5 eV.
The vibrational relaxation of H2O and its dependence on the concentration of H2 have been calculated in terms of these cross sections for temperatures from 300 °K to 1000 °K. It is found that the relaxation behaviour is dominated by transitions within the valence angle bending vibrational mode and can be well represented by a single relaxation time for all temperatures and hydrogen concentrations less than 5%.
Comparison with experimental results for the pure vapour indicates that the calculated inelastic cross sections for H2O collisions may be low by less than an order of magnitude. The vibrational transition rate within the angle bending mode arising from collision with H2 is found to be a factor of 40 greater than that produced by collision with H2O.