Estimation of the average aromatic cluster size based on solid-state NMR measurement of coal

Koh Kidena; Satoru Murata; Levent Artok; Masakatsu Nomura

doi:10.3775/jie.78.869

Estimation of the average aromatic cluster size based on solid-state NMR measurement of coal

Koh Kidena, Satoru Murata, Levent Artok, Masakatsu Nomura

Department of Art and Design

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

15 Scopus citations

Abstract

Measurements of solid-state NMR of eight Argonne Premium Coal Samples were conducted to estimate the average aromatic cluster size in these coals. Firstly, the carbon distribution was obtained from SPE/MAS ¹³C-NMR. Secondary, ¹H-CRAMPS NMR spectra gave the hydrogen aromaticity of coal. Combination use of the hydrogen aromaticity and elemental analysis data could afford the amount of tertiary aromatic carbon. The parameter of χ_b, the mole fraction of aromatic bridgehead carbons in all aromatic carbons, could be derived from above NMR data and elemental analysis of coal. χ_b is directly correlated to the number of aromatic carbon atoms per aromatic cluster, C. In this study, the value of C varied from 10 (corresponding to the size of naphthalene) for Beulah-Zap and Wyodak coals to 23 (corresponding to the size of coronene) for Pocahontas No. 3 coal.

Original language	English
Pages (from-to)	874-876
Number of pages	3
Journal	Nihon Enerugi Gakkaishi/Journal of the Japan Institute of Energy
Volume	78
Issue number	10
DOIs	https://doi.org/10.3775/jie.78.869
State	Published - 1999

Keywords

Aromatic cluster size
Solid-state NMR

ASJC Scopus subject areas

General Energy

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10.3775/jie.78.869

Cite this

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title = "Estimation of the average aromatic cluster size based on solid-state NMR measurement of coal",

abstract = "Measurements of solid-state NMR of eight Argonne Premium Coal Samples were conducted to estimate the average aromatic cluster size in these coals. Firstly, the carbon distribution was obtained from SPE/MAS 13C-NMR. Secondary, 1H-CRAMPS NMR spectra gave the hydrogen aromaticity of coal. Combination use of the hydrogen aromaticity and elemental analysis data could afford the amount of tertiary aromatic carbon. The parameter of χb, the mole fraction of aromatic bridgehead carbons in all aromatic carbons, could be derived from above NMR data and elemental analysis of coal. χb is directly correlated to the number of aromatic carbon atoms per aromatic cluster, C. In this study, the value of C varied from 10 (corresponding to the size of naphthalene) for Beulah-Zap and Wyodak coals to 23 (corresponding to the size of coronene) for Pocahontas No. 3 coal.",

keywords = "Aromatic cluster size, Solid-state NMR",

author = "Koh Kidena and Satoru Murata and Levent Artok and Masakatsu Nomura",

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doi = "10.3775/jie.78.869",

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T1 - Estimation of the average aromatic cluster size based on solid-state NMR measurement of coal

AU - Kidena, Koh

AU - Murata, Satoru

AU - Artok, Levent

AU - Nomura, Masakatsu

PY - 1999

Y1 - 1999

N2 - Measurements of solid-state NMR of eight Argonne Premium Coal Samples were conducted to estimate the average aromatic cluster size in these coals. Firstly, the carbon distribution was obtained from SPE/MAS 13C-NMR. Secondary, 1H-CRAMPS NMR spectra gave the hydrogen aromaticity of coal. Combination use of the hydrogen aromaticity and elemental analysis data could afford the amount of tertiary aromatic carbon. The parameter of χb, the mole fraction of aromatic bridgehead carbons in all aromatic carbons, could be derived from above NMR data and elemental analysis of coal. χb is directly correlated to the number of aromatic carbon atoms per aromatic cluster, C. In this study, the value of C varied from 10 (corresponding to the size of naphthalene) for Beulah-Zap and Wyodak coals to 23 (corresponding to the size of coronene) for Pocahontas No. 3 coal.

AB - Measurements of solid-state NMR of eight Argonne Premium Coal Samples were conducted to estimate the average aromatic cluster size in these coals. Firstly, the carbon distribution was obtained from SPE/MAS 13C-NMR. Secondary, 1H-CRAMPS NMR spectra gave the hydrogen aromaticity of coal. Combination use of the hydrogen aromaticity and elemental analysis data could afford the amount of tertiary aromatic carbon. The parameter of χb, the mole fraction of aromatic bridgehead carbons in all aromatic carbons, could be derived from above NMR data and elemental analysis of coal. χb is directly correlated to the number of aromatic carbon atoms per aromatic cluster, C. In this study, the value of C varied from 10 (corresponding to the size of naphthalene) for Beulah-Zap and Wyodak coals to 23 (corresponding to the size of coronene) for Pocahontas No. 3 coal.

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KW - Solid-state NMR

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Estimation of the average aromatic cluster size based on solid-state NMR measurement of coal

Abstract

Keywords

ASJC Scopus subject areas

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