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Gdańsk University of Technology

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Formation of carbon monoxide by radiative association: a quantum dynamical study

Rate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and 127.2 K, and A= 1.36 × 10−17 cm3 s−1, α= 0.41 and β= 340 for temperatures between 127.2 and 15 000 K. Furthermore we computed the rate coefficients for approaching on the X1Σ+ curve. For temperatures below 200 K it is between 0.7 × 10−22 and 4 × 10−22 cm3 s−1.

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DOI
Digital Object Identifier link open in new tab 10.1111/j.1365-2966.2011.18654.x
Category
Publikacja w czasopiśmie
Type
artykuł w czasopiśmie wyróżnionym w JCR
Language
angielski
Publication year
2011

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