Diffusion Coefficients of Electronically Excited Molecules

The influence of electronic excitation of molecules on their diffusion coefficients is studied. Based on the electrical properties of some molecules (O 2 , OH, CO, N 2 , H 2 O, and HO 2 ) in various electronic states reported elsewhere and obtained by us using quantum-chemical calculations, the bina...

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Bibliographic Details
Published inFluid dynamics Vol. 58; no. 4; pp. 787 - 795
Main Authors Sharipov, A. S., Loukhovitski, B. I., Pelevkin, A. V.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.08.2023
Springer
Springer Nature B.V
Subjects
Classical and Continuum Physics
Classical Mechanics
Coefficients
Electrical properties
Electron states
Engineering Fluid Dynamics
Excitation
Fluid- and Aerodynamics
Physics
Physics and Astronomy
Quantum chemistry
polarizability
dipole moment
electronically excited states
collisional diameter
diffusion coefficient
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Summary:The influence of electronic excitation of molecules on their diffusion coefficients is studied. Based on the electrical properties of some molecules (O 2 , OH, CO, N 2 , H 2 O, and HO 2 ) in various electronic states reported elsewhere and obtained by us using quantum-chemical calculations, the binary coefficients of diffusion on the main components of atmospheric air (N 2 , O 2 , H 2 O, and Ar) over a wide temperature range are estimated. It is shown that the diffusion coefficients of electronically excited molecules can differ significantly from those of the specified molecules in the ground electronic state, especially for high excitation energies, and in the case of the diffusion of a polar molecule in a polar buffer gas.
ISSN:0015-4628
1573-8507
DOI:10.1134/S0015462823600943