A molecular model for Illinois No. 6 Argonne Premium coal: Moving toward capturing the continuum structure

Fuel

Volumn 95, Issue , 2012, Pages 35-49

  Castro Marcano, Fidel ^a   Lobodin, Vladislav V ^b   Rodgers, Ryan P ^b,c   McKenna, Amy M ^b   Marshall, Alan G ^b,c   Mathews, Jonathan P ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b FLORIDA STATE UNIVERSITY   (United States)

^c FLORIDA STATE UNIVERSITY   (United States)

Author keywords

Coal molecular modeling; Coal structure; Continuum structure; Structural diversity

Indexed keywords

ALIPHATIC CARBON; ALKYL GROUPS; ARGONNE PREMIUM COAL; AROMATIC RINGS; AUTOMATED CONSTRUCTION; BULK WATER; CATALYZED OXIDATION; COAL STRUCTURE; COMPLEX NATURE; CONTINUUM STRUCTURES; DOUBLE BONDS; EXPERIMENTAL VALUES; EXTRACTABILITY; EXTRACTION YIELD; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY; GROUP CONTRIBUTIONS; HETEROATOMIC CLASS; HETEROATOMS; HIGH-RESOLUTION TRANSMISSION ELECTRON MICROSCOPES; ILLINOIS; LARGE-SCALE MODELS; LASER DESORPTION IONIZATION MASS SPECTROMETRY; LATTICE FRINGES; MATERIALS STUDIO; MOLECULAR MODELS; NMR DATA; PERL SCRIPTS; POLYAROMATICS; SAMPLING FREQUENCIES; STRUCTURAL DATA; STRUCTURAL DIVERSITY; SULFUR FUNCTIONALITIES; X-RAY ADSORPTION NEAR-EDGE STRUCTURES;

ADSORPTION; ELECTROSPRAY IONIZATION; MASS SPECTROMETRY; MOLECULAR MECHANICS; MOLECULAR MODELING; MOLECULAR WEIGHT DISTRIBUTION; PYRIDINE; RUTHENIUM; SULFUR; TRANSMISSION ELECTRON MICROSCOPY; X RAY PHOTOELECTRON SPECTROSCOPY;

COAL;

EID: 84857063882     PISSN: 00162361     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuel.2011.12.026     Document Type: Article

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