engleski

Optical spectra of carbon-monoxide molecule: fast quantum mechanical simulation

CO is the second most common molecule (after H2) in the interstellar medium. The CO molecule spectra have been the subject of many studies of Earth atmosphere, especially greenhouse gas remediation. We developed a full quantum- mechanical procedure for calculating optical spectra of diatomic molecules, based on the Fourier grid Hamiltonian method [1] for determining energies and the corresponding wave functions. “Molecule in a box” concept enables that all transitions between the bound, free, and quasibound states can be treated on the same way as bound-bound transitions. Our study suggests that numerical simulation of the absorption [2] and thermal emission [3] spectra can be an efficient tool for the diagnostics of hot vapors (or plasma) and is suitable for the determination of the number density and temperature (vibrational and rotational) of the diatomic molecules. We have analyzed absorption, LTE emission and non-LTE emission spectra of CO molecule at “room” temperature (300 K) in visible spectral range. The numerical data have been compared with experimental results obtained by exciting CO molecules in inductively coupled RF plasma. The plasma was created in a glass tube using 13.56 MHz electromagnetic field (300 W). As working gases, we used CO2 and CO at pressures between 5 and 70 Pa. The present work was supported by the Croatian Science Foundation (HRZZ) under the project number 2753.

CO molecule, diatomic molecules, number density, RF plasma

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