2017MNRAS.469.1673B -
Mon. Not. R. Astron. Soc., 469, 1673-1681 (2017/August-1)
Ro-vibrational excitation of SiO by collision with helium at high temperature.
BALANCA C. and DAYOU F.
Abstract (from CDS):
We report theoretical rate coefficients for the ro-vibrational excitation of SiO by collision with He. A new, three-dimensional, ab initio potential energy surface, which includes the dependence on the vibrational coordinate of SiO, has been developed for the X1A ground electronic state of the SiO-He system. Quantum dynamics calculations were performed using the vibrational close-coupling rotational infinite order sudden (VCC-IOS) method. Collisional rate coefficients have been determined for the de-excitation of the 41 first rotational states (j = 0-40) of the first six vibrational levels (v = 0-5) of SiO, in the temperature range between 300 and 6000 K. The rotational de-excitation rate coefficients corresponding to the vibrationally elastic process SiO(v, j) - SiO(v, j) are found to be almost insensitive to the selected vibrational level. The rate coefficients for the vibrationally inelastic process SiO(v, j) - SiO(v, j) are significantly enhanced by the kinetic temperature and, to a lesser extent, by the vibrational excitation of SiO, but they are smaller than the vibrationally elastic ones by several orders of magnitude for the whole temperature range. The agreement between the present vibrational close-coupling rotational infinite order sudden (VCC-IOS) results and the available literature data for the SiO-He colliding system is discussed.
Abstract Copyright:
© 2017 The Authors Published by Oxford University Press on behalf of the Royal Astronomical Society
Journal keyword(s):
astrochemistry - molecular data - molecular processes - scattering - ISM: molecules - ISM: molecules
Simbad objects:
1
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