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1 Geological Characteristics of Coal. . . . . . . . . . . . . . . . . . . . . . . . . 1 1.1 Coal Formation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1.1.1 Components of Coal Formation . . . . . . . . . . . . . . . . . . . 2 1.1.2 Formation of Humic Coal . . . . . . . . . . . . . . . . . . . . . . . 5 1.2 Classification of Coal . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 1.2.1 Peat . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 1.2.2 Lignite . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 1.2.3 Bituminous Coal . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 1.2.4 Anthracite . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 1.2.5 Technical Classification of Coal in China . . . . . . . . . . . . 12 1.2.6 Coal Resources and Distribution in China . . . . . . . . . . . . 13 1.3 Coal Macerals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14 1.3.1 Coal Lithotype . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 1.3.2 Organic Macerals of Coal . . . . . . . . . . . . . . . . . . . . . . . 16 1.3.3 Inorganic Macerals. . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 1.3.4 Separation and Enrichment of Coal Macerals. . . . . . . . . . 22 1.3.5 Quantitative Analysis of Coal Macerals . . . . . . . . . . . . . 23 1.3.6 Chemical Composition of Coal Macerals . . . . . . . . . . . . 24 1.3.7 Relationship Between Coal Type and Rank. . . . . . . . . . . 26 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27 2 Physical Characteristics of Coal . . . . . . . . . . . . . . . . . . . . . . . . . . 29 2.1 Physical Properties of Coal . . . . . . . . . . . . . . . . . . . . . . . . . . . 29 2.1.1 Mechanical Properties of Coal . . . . . . . . . . . . . . . . . . . . 29 2.1.2 Thermal Properties of Coal . . . . . . . . . . . . . . . . . . . . . . 33 2.1.3 Optical Properties of Coal . . . . . . . . . . . . . . . . . . . . . . . 34 2.1.4 Electrical and Magnetic Properties of Coal . . . . . . . . . . . 37 2.1.5 Surface Properties of Coal. . . . . . . . . . . . . . . . . . . . . . . 38 2.1.6 Coal Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42 v 2.2 Physical Methods for Coal Structure Characterization . . . . . . . . . 43 2.2.1 Infrared Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . 43 2.2.2 Nuclear Magnetic Resonance Spectroscopy . . . . . . . . . . . 49 2.2.3 X-ray Diffraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52 2.2.4 Small-Angle X-ray Scattering . . . . . . . . . . . . . . . . . . . . 54 2.2.5 Electron Microscopy . . . . . . . . . . . . . . . . . . . . . . . . . . 54 2.2.6 Surface Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 2.3 Statistical Constitution Analysis . . . . . . . . . . . . . . . . . . . . . . . . 60 2.3.1 Coal Structural Parameters . . . . . . . . . . . . . . . . . . . . . . 60 2.3.2 Principle of Statistical Constitution Analysis . . . . . . . . . . 62 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64 3 Chemical Characteristics of Coal . . . . . . . . . . . . . . . . . . . . . . . . . 67 3.1 Chemical Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67 3.1.1 Moisture in Coal . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67 3.1.2 Mineral Matter and Ash in Coal . . . . . . . . . . . . . . . . . . 69 3.1.3 Volatile Matter and Fixed Carbon in Coal. . . . . . . . . . . . 71 3.1.4 Elemental Composition . . . . . . . . . . . . . . . . . . . . . . . . . 73 3.1.5 Calorific Value . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78 3.1.6 Basis of Coal Analysis Indicators. . . . . . . . . . . . . . . . . . 82 3.1.7 Functional Groups in Coal . . . . . . . . . . . . . . . . . . . . . . 84 3.2 Chemical Methods for Coal Structure Determination. . . . . . . . . . 88 3.2.1 Solvent Extraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 3.2.2 Computational Chemistry . . . . . . . . . . . . . . . . . . . . . . . 93 3.3 Case Study of Coal Chemical Structural Analysis. . . . . . . . . . . . 97 3.3.1 Macromolecular Network Structure of Pingshuo Coal. . . . 97 3.3.2 Micromolecules Structure of Pingshuo Coal . . . . . . . . . . 108 3.3.3 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117 4 Coal Pyrolysis Reactions. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119 4.1 Introduction to Coal Pyrolysis . . . . . . . . . . . . . . . . . . . . . . . . . 119 4.1.1 Pyrolysis Processes . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 4.1.2 Chemical Reactions of Coal During Pyrolysis . . . . . . . . . 125 4.1.3 Kinetics of Coal Pyrolysis. . . . . . . . . . . . . . . . . . . . . . . 128 4.2 Study of Coal Pyrolysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133 4.2.1 Study of Coal Pyrolysis by PyGC Technique . . . . . . . . . 133 4.2.2 Study of Coal Pyrolysis by Py-FTIR Techniques . . . . . . . 138 4.2.3 Study of Coal Pyrolysis by Thermogravimetry. . . . . . . . . 143 4.3 Pyrolysis Simulation Applied to Coalification Case Study . . . . . . 152 4.3.1 Main Factors Affecting Simulation Experiments. . . . . . . . 154 4.3.2 Simulation Study of Coalification . . . . . . . . . . . . . . . . . 157 vi Contents 4.4 Structure¨CReactivity Relationships in Coal Pyrolysis. . . . . . . . . . 168 4.4.1 Application of Pyrolysis Methods in Study of Coal Structure¨CReactivity Relationships . . . . . . . . . . . 168 4.4.2 Application of Solvent Extraction in Research on Coal Structure and Reactivity . . . . . . . . . . . . . . . . . . 171 4.4.3 Model Compounds in Studies of Coal Structure and Reactivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 173 4.4.4 Models for Pyrolysis Reactivity . . . . . . . . . . . . . . . . . . . 173 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178 5 Coal Gasification . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 181 5.1 Introduction to Coal Gasification . . . . . . . . . . . . . . . . . . . . . . . 181 5.1.1 Gasification Reactivity Research . . . . . . . . . . . . . . . . . . 182 5.1.2 Gasification Reaction Mechanisms . . . . . . . . . . . . . . . . . 183 5.1.3 Catalytic Gasification Mechanisms . . . . . . . . . . . . . . . . . 185 5.2 Thermogravimetric Behavior of Coal and Its Macerals Gasification . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 187 5.2.1 Non-catalytic Gasification of Coal . . . . . . . . . . . . . . . . . 188 5.2.2 Catalytic Gasification of Coal . . . . . . . . . . . . . . . . . . . . 195 5.3 Compensation Effects in Gasification Reactions . . . . . . . . . . . . . 203 5.3.1 Compensation Effects and Coke Gasification Dynamic Parameters. . . . . . . . . . . . . . . . . . . . . . . . . . . 204 5.3.2 Theoretical Analysis of Compensation Effect. . . . . . . . . . 206 5.4 Studies of C¨CO Complexes Over Coal Surface with TPD . . . . . . 213 5.4.1 Pretreatment of Samples . . . . . . . . . . . . . . . . . . . . . . . . 214 5.4.2 TPD Study of C¨CO Complexes . . . . . . . . . . . . . . . . . . . 215 5.4.3 Analysis of CO2 Gasification of Cokes Based on TPD Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220 5.5 Structure¨CReactivity Relationships in Coal Gasification . . . . . . . . 220 5.5.1 Factors Affecting Gasification Reactivity . . . . . . . . . . . . 220 5.5.2 Relationship Between Coke Crystal Structure and Gasification Reactivity . . . . . . . . . . . . . . . . . . . . . . 229 5.5.3 Relationship Between Coke Surface Properties and Gasification Reactivity . . . . . . . . . . . . . . . . . . . . . . 231 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 240 ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡ |
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