抄録
The pure rotational and vibrational-rotational absorption spectra are calculated by the classical molecular dynamics method in order to know the effects of high temperature field and surrounding species on IR absorption. Diatomic molecules in the calculation domain are assumed to have the similar dipole moments as CO molecules. Their translational, rotational and vibrational motions are calculated by the molecular dynamics method. Effects of system temperature, system pressure and intermolecular potential on IR spectra are investigated and discussed in the present study.
