Velocity effects on the shape of pure H2O isolated lines: Complementary tests of the partially correlated speed-dependent Keilson-Storer model

Autor: Robert R. Gamache, N.H. Ngo, Ha Tran, Alain Campargue, Jean-Michel Hartmann, Eugenio Fasci, Didier Mondelain, François Rohart, Antonio Castrillo, Samir Kassi, Livio Gianfrani
Přispěvatelé: Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer - U837 (JPArc), Université Lille Nord de France (COMUE)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Lille, Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Department of Environmental, Earth, and Atmospheric Sciences [Lowell], University of Massachusetts [Lowell] (UMass Lowell), University of Massachusetts System (UMASS)-University of Massachusetts System (UMASS), LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer - U1172 Inserm - U837 (JPArc), Tran, H., Ngo, N. H., Hartmann, J. M., Gamache, R. R., Mondelain, D., Kassi, S., Campargue, A., Gianfrani, Livio, Castrillo, Antonio, Fasci, E., Rohart, F., Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Lille Nord de France (COMUE)-Université de Lille, Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer (JPArc - U837 Inserm), Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre Hospitalier Régional Universitaire [Lille] (CHRU Lille)-Université Lille 2 - Faculté de Médecine, Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), LIPhy-LAME, Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)
Jazyk: angličtina
Rok vydání: 2013
Předmět:
spectral line broadening
water
Analytical chemistry
General Physics and Astronomy
Molecular Dynamics Simulation
01 natural sciences
Line and band widths shapes and shifts
Spectral line
010309 optics
Molecular dynamics
radiative lifetimes
Consistency (statistics)
0103 physical sciences
Cavity ring down
High sensitivity
Limiting case
Line broadening
Line shape
Partial correlation
Pressure conditions
Room temperature
Scaling factors
Speed dependence
Velocity changes
Velocity effects
Voigt profile
Pressure
Physical and Theoretical Chemistry
010306 general physics
Oscillator and band strengths lifetimes transition moments and Franck-Condon factors
Partial correlation
Line (formation)
[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics]
Spectrometer
Chemistry
spectral line shift
Temperature
Steam
Torr
Atomic physics
Water vapor
Zdroj: Journal of Chemical Physics
Journal of Chemical Physics, 2013, 138, pp.4302. ⟨10.1063/1.4774094⟩
Journal of Chemical Physics, American Institute of Physics, 2013, 138, pp.4302. ⟨10.1063/1.4774094⟩
ISSN: 0021-9606
1089-7690
DOI: 10.1063/1.4774094⟩
Popis: Complementary tests of the partially correlated speed-dependent Keilson-Storer (pCSDKS) model for the shape of isolated transition of pure water vapor[N. H. Ngo et al. , J. Chem. Phys.136, 154310 (Year: 2012)]10.1063/1.4704675 are made using new measurements. The latter have been recorded using a high sensitivity cavity ring down spectrometer, for seven self-broadened H2O lines in the 1.6 μm region at room temperature and for pressures from 0.5 to 15 Torr. Furthermore, the H2 18O spectra of [M. D. De Vizia et al. , Phys. Rev. A83, 052506 (Year: 2011)]10.1103/PhysRevA.83.052506 in the 1.38 μm region, measured at 273.15 K and for pressures from 0.3 to 3.75 Torr have also been used for comparison with the model. Recall that the pCSDKS model takes into account the collision-induced velocity changes, the speed dependences of the broadening and shifting coefficients as well as the partial correlation between velocity and rotational-state changes. All parameters of the model have been fixed at values previously determined, except for a scaling factor applied to the input speed-dependent line broadening. Comparisons between predictions and experiments have been made by looking at the results obtained when fitting the calculated and measured spectra by Voigt profiles. The good agreement obtained for all considered lines, at different temperature and pressure conditions, confirms the consistency and the robustness of the model. Limiting cases of the model have been then derived, showing the influence of different contributions to the line shape.
Databáze: OpenAIRE
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