Vibrational energy transfer in O2(v = 2-8)-O2(v = 0) collisions.
J Chem Phys
; 130(19): 194306, 2009 May 21.
Article
em En
| MEDLINE
| ID: mdl-19466835
Starting with multipolar-multipolar interaction for intermolecular potential we have carried out a calculation of rate coefficients for transfer of one quantum of vibrational energy upon impact of O(2)(2 < or = v < or = 8) with O(2)(v = 0) as a function of temperature (150 K < or = T < or = 450 K). The equations for energy transfer, in the second order of perturbation theory, mediated by isotropic and anisotropic dispersion interactions, are derived. None of the parameters appearing in the calculation were adjusted to obtain agreement with the experimentally measured rate coefficients. The results of the calculation are compared with experimentally measured room temperature rate coefficients of the disappearance of O(2)(v) upon collision with O(2)(v = 0). The agreement is found to be good for the disappearance of O(2)(v = 3) and O(2)(v = 5). For O(2)(v = 2) the calculation gives a larger rate coefficient than the measured value, while for O(2)(v = 4) it gives a smaller value than obtained by measurement. For O(2)(v = 8) it agrees with one measurement and gives a value smaller than another measurement and a calculation.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2009
Tipo de documento:
Article
País de afiliação:
Estados Unidos