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[×ÊÔ´] л¿Ë²ýÀÏʦ2015×îаæ úµÄ½á¹¹Óë·´Ó¦ÐÔ Structure and Reactivity of Coal

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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