Abstract
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. 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.
| Original language | English |
|---|---|
| Pages (from-to) | 6774-6789 |
| Number of pages | 16 |
| Journal | Energy and Fuels |
| Volume | 38 |
| Issue number | 8 |
| DOIs | |
| State | Published - Apr 18 2024 |
Funding
This research work was sponsored by the U.S. Department of Energy Fossil Energy and Carbon Management Program, Advanced Coal Processing Program, C4WARD project (FEAA155). A portion of this work was performed at the National High Magnetic Field Laboratory ICR and NMR User Facilities, which are supported by the National Science Foundation Division of Chemistry and Division of Materials Research through DMR-1644779, DMR-2128556, and the State of Florida. The HRTEM micrographs were obtained by Akshay Gharpure at Penn State. The LDIMS data at PSU was generated by Tatiana Laremore. The authors acknowledge the use of the Penn State Materials Characterization Lab for the HRTEM and LDiMS facilities. Laser desorption ionization analysis was conducted at the Center for Nanophase Materials Sciences at ORNL, which is a DOE Office of Science User Facility. This manuscript has been authored by UT-Battelle, LLC under Contract DE-AC05–00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). Acknowledgments
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