Am. Chem. Soc., Div. Fuel Chem., Prepr.; (United States) · 1980 · 12 citations · 1 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryPhysical ChemistryTheoretical ChemistryAtomistic ModelingChemical Kinetics ModelingMaterial ModelingMolecular ModelingMolecular SimulationReaction Mechanism ModelingCoal CombustionCoal Mineral MatterCoal StructureInput Data AnalysisModel Structure AnalysisModel Structure DesignModel Structure IdentificationModel Structure Selection
The model coal molecule described in this paper is presented with the following objectives: (1) to incorporate into the model new structural information that has become available in recent years; (2) to derive additional input data for the model molecule by means of a mathematical analysis; and (3) to test the model by comparing the experimentally observed behavior of a high-volatile bituminous coal in a number of chemical reactions with the expected behavior of the model molecule in the same reactions.
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Catalytic Dehydrogenation of Coal
R. Raymond, I. Wender, Leslie Reggel · Science · 1962 · 20 citations