Blucher Physics Proceedings

Setembro 2019, vol.6, num.1 - X Encontro Científico de Física Aplicada
Artigo completo - Open Access Idioma principal | Segundo principal

Theoretical study of the vibrational excitation of SO(B 3Σ −) molecules by collisions with Ar atoms

Theoretical study of the vibrational excitation of SO(B 3Σ −) molecules by collisions with Ar atoms

Silva, Ramon S. da; Ballester, Maikel Y.

Artigo completo:

The methodology of quasi-classical trajectories (QCT) is used to investigate howoccurs the energy transfer (ET) processes in collisions involving SO(B3Σ−) moleculesand Ar(1S) atoms. Particularly, transfers of the type translation-to-vibration (T-V)are the main focus of this work. In order to achieve this goal, a new potential energy surface (PES) was developed based on the pairwise addition. Such methodology has been widely used within the double many-body expansion (DMBE). Topological features of PES for the the triatomic system are discussed. Our results fromthe molecular dynamics, point out that T-V excitation processes present a barriertype behavior. This suggests that, in this case, repulsive interactions between sulfurmonoxide and argon atom play a key role. 

The methodology of quasi-classical trajectories (QCT) is used to investigate howoccurs the energy transfer (ET) processes in collisions involving SO(B3Σ−) moleculesand Ar(1S) atoms. Particularly, transfers of the type translation-to-vibration (T-V)are the main focus of this work. In order to achieve this goal, a new potential energy surface (PES) was developed based on the pairwise addition. Such methodology has been widely used within the double many-body expansion (DMBE). Topological features of PES for the the triatomic system are discussed. Our results fromthe molecular dynamics, point out that T-V excitation processes present a barriertype behavior. This suggests that, in this case, repulsive interactions between sulfurmonoxide and argon atom play a key role. 

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DOI: 10.5151/ecfa2019-18

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Como citar:

Silva, Ramon S. da; Ballester, Maikel Y.; "Theoretical study of the vibrational excitation of SO(B 3Σ −) molecules by collisions with Ar atoms", p-80-84. In: Anais do X Encontro Científico de Física Aplicada. São Paulo: Blucher, 2019.
ISSN 23582359, DOI 10.5151/ecfa2019-18

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