A precise deconvolution method to derive methane hydrate cage occupancy ratios using Raman spectroscopy

Yuya Hiraga; Takuya Sasagawa; Shinichiro Yamamoto; Hiroyuki Komatsu; Masaki Ota; Takao Tsukada; Richard L. Smith

doi:10.1016/j.ces.2019.115361

A precise deconvolution method to derive methane hydrate cage occupancy ratios using Raman spectroscopy

Yuya Hiraga, Takuya Sasagawa, Shinichiro Yamamoto, Hiroyuki Komatsu, Masaki Ota, Takao Tsukada, Richard L. Smith

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Raman spectroscopy was used to analyze cage occupancy of thin homogeneous methane hydrate (MH) films at (2.9 to 7.6) MPa and (273 to 276) K. The MH films were synthesized on the lower surface of a sapphire window of a high-pressure cell to eliminate noise associated with the C[sbnd]H stretching vibration of bulk methane gas. Methane medium-size to small-size cage occupancy ratios of the MH films were determined for purposes of assessing the reliability of deconvolution functions used in data reduction. Gaussian, Lorentzian and Voigt functions were considered and the Voigt function was found to provide the most reliable function in terms of fitting precision. Methane occupancy ratios tend to decrease with increasing pressure which is important for practical scale simulations.

Original language	English
Article number	115361
Journal	Chemical Engineering Science
Volume	214
DOIs	https://doi.org/10.1016/j.ces.2019.115361
Publication status	Published - 2020 Mar 16

Keywords

Clathrate hydrate
Energy
Experimental technique
Raman spectra deconvolution

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)
Industrial and Manufacturing Engineering

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title = "A precise deconvolution method to derive methane hydrate cage occupancy ratios using Raman spectroscopy",

abstract = "Raman spectroscopy was used to analyze cage occupancy of thin homogeneous methane hydrate (MH) films at (2.9 to 7.6) MPa and (273 to 276) K. The MH films were synthesized on the lower surface of a sapphire window of a high-pressure cell to eliminate noise associated with the C[sbnd]H stretching vibration of bulk methane gas. Methane medium-size to small-size cage occupancy ratios of the MH films were determined for purposes of assessing the reliability of deconvolution functions used in data reduction. Gaussian, Lorentzian and Voigt functions were considered and the Voigt function was found to provide the most reliable function in terms of fitting precision. Methane occupancy ratios tend to decrease with increasing pressure which is important for practical scale simulations.",

keywords = "Clathrate hydrate, Energy, Experimental technique, Raman spectra deconvolution",

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T1 - A precise deconvolution method to derive methane hydrate cage occupancy ratios using Raman spectroscopy

AU - Hiraga, Yuya

AU - Sasagawa, Takuya

AU - Yamamoto, Shinichiro

AU - Komatsu, Hiroyuki

AU - Ota, Masaki

AU - Tsukada, Takao

AU - Smith, Richard L.

PY - 2020/3/16

Y1 - 2020/3/16

N2 - Raman spectroscopy was used to analyze cage occupancy of thin homogeneous methane hydrate (MH) films at (2.9 to 7.6) MPa and (273 to 276) K. The MH films were synthesized on the lower surface of a sapphire window of a high-pressure cell to eliminate noise associated with the C[sbnd]H stretching vibration of bulk methane gas. Methane medium-size to small-size cage occupancy ratios of the MH films were determined for purposes of assessing the reliability of deconvolution functions used in data reduction. Gaussian, Lorentzian and Voigt functions were considered and the Voigt function was found to provide the most reliable function in terms of fitting precision. Methane occupancy ratios tend to decrease with increasing pressure which is important for practical scale simulations.

AB - Raman spectroscopy was used to analyze cage occupancy of thin homogeneous methane hydrate (MH) films at (2.9 to 7.6) MPa and (273 to 276) K. The MH films were synthesized on the lower surface of a sapphire window of a high-pressure cell to eliminate noise associated with the C[sbnd]H stretching vibration of bulk methane gas. Methane medium-size to small-size cage occupancy ratios of the MH films were determined for purposes of assessing the reliability of deconvolution functions used in data reduction. Gaussian, Lorentzian and Voigt functions were considered and the Voigt function was found to provide the most reliable function in terms of fitting precision. Methane occupancy ratios tend to decrease with increasing pressure which is important for practical scale simulations.

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KW - Experimental technique

KW - Raman spectra deconvolution

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