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Article type: Research Article
Authors: El-Kader, M.S.A.a; * | Maroulis, G.b | Bancewicz, T.c
Affiliations: [a] Department of Engineering Mathematics and Physics, Faculty of Engineering, Cairo University, Giza, Egypt | [b] Department of Chemistry, University of Patras, Patras, Greece | [c] Faculty of Physics, Department of Nonlinear Optics, 61-614 Poznań, Poland
Correspondence: [*] Corresponding author: M.S.A. El-Kader, Department of Engineering Mathematics and Physics, Faculty of Engineering, Cairo University, Giza 12211, Egypt. E-mail: [email protected].
Abstract: Quantum mechanical lineshapes of collision-induced absorption (CIA) at different temperatures are computed for gaseous mixtures of molecular nitrogen and methane using theoretical values for the induced dipole moments and intermolecular potential as input. Comparison with theoretical absorption spectra shows satisfactory agreement. An empirical model of the dipole moment which reproduces the experimental spectra and the first three spectral moments more closely than the fundamental theory, is also presented. Good agreement between computed and experimental absorption lineshapes is obtained when a potential model which is constructed from the thermophysical and transport properties is used.
Keywords: Induced dipole moment, intermolecular potential, CIA/N2-CH4
DOI: 10.3233/JCM-210049
Journal: Journal of Computational Methods in Sciences and Engineering, vol. 21, no. 4, pp. 1063-1078, 2021
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