Detailed Characterization of Vitrinite-Rich Subbituminous and Bituminous Coals for Utilization in Carbon Fiber Precursor Production

Cakmak, Ercan; Mathews, Jonathan; Wi, Sungsool; Ryder, Matthew; Chacón-Patiño, Martha; Mckenna, Amy M.; Vautard, Frederic; Arnould, Mark A.; Meyer III, Harry; Lara-Curzio, Edgar

doi:10.1021/acs.energyfuels.3c05200

Title: Detailed Characterization of Vitrinite-Rich Subbituminous and Bituminous Coals for Utilization in Carbon Fiber Precursor Production

Journal Article · 27 March 2024 · Energy and Fuels

DOI: https://doi.org/10.1021/acs.energyfuels.3c05200 · OSTI ID:2333732

^[1]; Mathews, Jonathan ^[2]; Wi, Sungsool ^[3];

^[1]; Chacón-Patiño, Martha ^[3]; Mckenna, Amy M. ^[4]; Vautard, Frederic ^[1]; Arnould, Mark A. ^[5];

^[1];

^[1]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Pennsylvania State Univ., State College, PA (United States)
Florida State Univ., Tallahassee, FL (United States)
Florida State Univ., Tallahassee, FL (United States); Colorado State Univ., Fort Collins, CO (United States)
Bruker Scientific LLC

Chemical structures of candidate coals (one subbituminous coal from the Powder River Basin and three bituminous Eastern US coals) were examined for potential low-cost carbon fiber precursor production. Here, the structural evaluation examined the carbon skeleton (¹³C nuclear magnetic resonance (NMR) and high-resolution transmission electron microscopy (HRTEM)), the heteroatom functionality (X-ray photoelectron spectroscopy (XPS) Fourier transform infrared spectroscopy (FTIR) and NMR), the structural ordering and distribution of PAH sizes (HRTEM), and an estimation of the molecular weight distribution (laser desorption ionization mass spectrometry, LDIMS). The molecular compositional distributions were also evaluated for a mixed solvent extract (atmospheric pressure photoionization, 21 T Fourier transform ion cyclotron resonance mass spectrometry, FT-ICR MS). Significant structural differences existed between the subbituminous and bituminous coals, as expected with coalification (with the bituminous coals having a higher carbon content, lower oxygen content, higher aromaticity values, larger cluster sizes, and so forth). While the bituminous coals were similar in structure (close in rank with Blue Gem being hvAb and the rest being hvBb), structural differences were still evident. Specifically, structural similarities were evident for the average properties of Herrin and Springfield coals: same rank, similar moisture, and volatile matter yields, along with similar aromaticity and carbon and hydrogen content. However, significant structural differences were observed at the molecular level by 21 T FT-ICR MS, which showed that the Springfield coal was structurally more complex. Specifically, 21740, 16931, 30190, and 12982 unique elemental compositions were identified for the Monarch, Herrin, Springfield, and Blue Gem coals, further illustrating the complexity of the coal.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy and Carbon Management (FECM); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2333732

Journal Information:: Energy and Fuels, Journal Name: Energy and Fuels Journal Issue: 8 Vol. 38; ISSN 0887-0624

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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