Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4

Devi, V. Malathy; Benner, D. Chris; Gamache, Robert R.; Tran, H.; Smith, Mary Ann H.; Sams, Robert L.

doi:10.1016/J.JQSRT.2017.12.005

Title: Multispectrum analysis of air-broadened spectra in the ν₃ Q branch of 12CH4

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Abstract

In this paper, we report experimental measurements of spectral line shape parameters (air-broadened width, shift, and line mixing coefficients) for several transitions in the ν₃ Q branch of methane in the 3000–3023 cm^-1 region. 13 high-resolution, room temperature laboratory spectra of pure methane and air-broadened methane recorded with two different Fourier transform spectrometers are fitted. 12 of these spectra were acquired at 0.01 cm^-1 resolution with the McMath-Pierce FTS at the National Solar Observatory on Kitt Peak, and one higher-resolution (~0.0011 cm-1) low pressure methane spectrum was obtained with the Bruker IFS-120HR FTS at the Pacific Northwest National Laboratory, in Richland, Washington. All the spectra were obtained using high purity natural samples of CH₄ and lean mixtures of the same natural CH₄ in dry air. For the 12 spectra recorded at Kitt Peak, three different absorption cells (L= 5, 25 and 150 cm) were used while the methane spectrum at PNNL was obtained using a 19.95 cm long absorption cell. For the analysis, an interactive multispectrum nonlinear least squares fitting software was employed where all the 13 spectra were fitted simultaneously. An accurate and self-consistent set of line parameters were determined by constraining a few of those for severely blendedmore »« less

Authors:

Devi, V. Malathy ^[1]; Benner, D. Chris ^[1]; Gamache, Robert R. ^[2]; Tran, H. ^[3]; Smith, Mary Ann H. ^[4]; Sams, Robert L. ^[5]

College of William and Mary, Williamsburg, VA (United States). Department of Physics
University of Massachusetts Lowell, Lowell, MA (United States). Department of Environmental, Earth, and Atmospheric Sciences
Sorbonne Universites, UPMC Univ. Paris (France). Laboratoire de Meteorologie Dynamique
NASA Langley Research Center, Hampton, VA (United States). Science Directorate
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Publication Date:: Wed Dec 06 00:00:00 EST 2017

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1413520

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Quantitative Spectroscopy and Radiative Transfer

Additional Journal Information:: Journal Volume: 206; Journal ID: ISSN 0022-4073

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 58 GEOSCIENCES; Methane; 12CH4; ν3 Q branch; Relaxation matrix element coefficients; Lorentz air broadening; Air pressure-induced shifts; Speed dependence

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                    Devi, V. Malathy, Benner, D. Chris, Gamache, Robert R., Tran, H., Smith, Mary Ann H., and Sams, Robert L. Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4.  United States: N. p., 2017. 
Web.  doi:10.1016/J.JQSRT.2017.12.005.

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                    Devi, V. Malathy, Benner, D. Chris, Gamache, Robert R., Tran, H., Smith, Mary Ann H., & Sams, Robert L. Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4.  United States.  https://doi.org/10.1016/J.JQSRT.2017.12.005

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                    Devi, V. Malathy, Benner, D. Chris, Gamache, Robert R., Tran, H., Smith, Mary Ann H., and Sams, Robert L. Wed .  
"Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4".  United States.  https://doi.org/10.1016/J.JQSRT.2017.12.005.  https://www.osti.gov/servlets/purl/1413520.

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@article{osti_1413520,

  title        = {Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4},

  author       = {Devi, V. Malathy and Benner, D. Chris and Gamache, Robert R. and Tran, H. and Smith, Mary Ann H. and Sams, Robert L.},

  abstractNote = {In this paper, we report experimental measurements of spectral line shape parameters (air-broadened width, shift, and line mixing coefficients) for several transitions in the ν3 Q branch of methane in the 3000–3023 cm-1 region. 13 high-resolution, room temperature laboratory spectra of pure methane and air-broadened methane recorded with two different Fourier transform spectrometers are fitted. 12 of these spectra were acquired at 0.01 cm-1 resolution with the McMath-Pierce FTS at the National Solar Observatory on Kitt Peak, and one higher-resolution (~0.0011 cm-1) low pressure methane spectrum was obtained with the Bruker IFS-120HR FTS at the Pacific Northwest National Laboratory, in Richland, Washington. All the spectra were obtained using high purity natural samples of CH4 and lean mixtures of the same natural CH4 in dry air. For the 12 spectra recorded at Kitt Peak, three different absorption cells (L= 5, 25 and 150 cm) were used while the methane spectrum at PNNL was obtained using a 19.95 cm long absorption cell. For the analysis, an interactive multispectrum nonlinear least squares fitting software was employed where all the 13 spectra were fitted simultaneously. An accurate and self-consistent set of line parameters were determined by constraining a few of those for severely blended transitions. Line mixing was measured for fourteen transition pairs for the CH4-air collision system. Lastly, a constant speed dependence parameter, consistent with measured speed dependence values obtained in other methane bands, was applied to all the transitions included in the fitted region. The present measurements are compared to values reported in the literature.},

  doi          = {10.1016/J.JQSRT.2017.12.005},

  journal      = {Journal of Quantitative Spectroscopy and Radiative Transfer},

  number       = ,

  volume       = 206,

  place        = {United States},

  year         = {Wed Dec 06 00:00:00 EST 2017},

  month        = {Wed Dec 06 00:00:00 EST 2017}

}

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Title: Multispectrum analysis of air-broadened spectra in the ν3 Q branch of 12CH4

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Title: Multispectrum analysis of air-broadened spectra in the ν₃ Q branch of 12CH4