Research on Solvent Extraction Process of Coal for Direct Carbon Fuel Cells

Wen, Bi; Ye, Hong; Jiang, Miao; Zhang, Yu Gui; Wan, Jian Feng

doi:10.4028/scientific5/amr.455-456.862

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Coal structures have been studied using a variety of chemical methods, such as proximate analysis, 1 elemental analysis, 2 and solvent extraction. 3 Coal samples and resultant fragments or products have been characterized by spectral or chromatographic methods, 4,5 such as infrared (IR) spectroscopy, 6 nuclear magnetic resonance (NMR), 7 X-ray diffractometry, 8 and gas chromatography−mass spectrometry (GC−MS). 9,10 However, these methods provide only partial or empirical structures, or derive molecular structures from a fragment of the macromolecular structure of coal.…”

Section: Introductionmentioning

confidence: 99%

Theoretical and Experimental Insight into Coal Structure: Establishing a Chemical Model for Yuzhou Lignite

Wang

Guo

et al. 2016

Energy Fuels

View full text Add to dashboard Cite

Because of their complex supermolecular structure, coal structures are challenging. We have tried to establish a novel method to construct a three-dimensional chemical model with proper reactivity for Yuzhou lignite using experimental and theoretical methods. Structural units of the Yuzhou lignite were built using elemental analysis, infrared analysis, 13 C nuclear magnetic resonance spectra, and density functional theory calculation. A three-dimensional chemical model was built in a periodic box in order to rationalize intra-and intermolecular interactions. To confirm the validity of the proposed model, we compared bond cracking pathways occurring during pyrolysis experiments using thermal gravimetric analysis and numerical dynamic reactive simulations employing the ReaxFF of thermal cracking of the model that we proposed. Experimental and numerical simulations results agreed, validating our building procedure. Therefore, this model could reflect both the basic structural characteristics and the thermal reactivity of Yuzhou lignite.

show abstract