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Reactivity and Relaxation of Vibrationally/Rotationally Excited Molecules with Open Shell Atoms

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Fundamental Aspects of Plasma Chemical Physics

Part of the book series: Springer Series on Atomic, Optical, and Plasma Physics ((SSAOPP,volume 85))

Abstract

This Chapter deals with the application of quasiclassical trajectory (QCT) method in the description of the interaction of open shell atoms with ro-vibrational excited diatomic molecules. Particular emphasis is given to VT (vibration-translation) mono-quantum and multi-quantum cross sections involving all the vibrational ladder of the molecule. Results for N-N2, O-O2 and N2-O systems are discussed after an assessment of the QCT method in getting complete datasets of rate coefficients to be included in non-equilibrium vibrational kinetic codes.

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Authors and Affiliations

  1. University of Bari and CNR, Bari, Italy

    Mario Capitelli, Claudine Gorse & Savino Longo

  2. Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica (DICATECh), Polytechnic of Bari, Bari, Italy

    Roberto Celiberto

  3. CNR, Bari, Italy

    Gianpiero Colonna, Fabrizio Esposito & Annarita Laricchiuta

  4. Laboratoire des Sciences des Procédés et des Matériaux, CNRS-INSIS, Paris, France

    Khaled Hassouni

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  1. Mario Capitelli
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  2. Roberto Celiberto
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  3. Gianpiero Colonna
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Capitelli, M. et al. (2016). Reactivity and Relaxation of Vibrationally/Rotationally Excited Molecules with Open Shell Atoms. In: Fundamental Aspects of Plasma Chemical Physics. Springer Series on Atomic, Optical, and Plasma Physics, vol 85. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-8185-1_2

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