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Coal Liquefaction: Investigation of Reactor Performance, Role of Catalysts and PCT Properties:
Final Report - 1987

Yatish T. Shah
John W. Tierney
Irving Wender
Sebastian Joseph
Chaur Wen

University of Pittsburgh

Table of Contents (502kb)

  Introduction i
Project Overview ii
Final Report Summary vi
Recommendations viii
References x

I

 Modeling of Wilsonville Integrated Two-Stage Liquefaction (ITSL) Process (1.29MB) 1
  Summary 4
Introduction 5
Two-Stage Liquefaction Processes 7
Three-Phase Fluidized Bed Reactors 14
Modeling of Ebullated Bed Reactor 15
Phase Holdups in Three-Phase Fluidized Beds 17
Liquid Phase Dispersion 23
Gas-Liquid Mass Transfer Coefficient 24
Liquid-Solid Mass Transfer Coefficient 24
Kinetic Model 24
Reactor Model Development 28
Parameter Estimation 31
Case Study 33
Conclusions 37
Notation 38
References 40
 

II

 Coal Liquefaction Using Transition Metal Carbonyl Catalysts (1.77MB) 43
  Summary 50
Introduction 51
Hydrogenation of Model Coal Constituents Using Transition Metal Catalysts 53
Carbonyl Catalysts 53
Hydrogenation of Polynuclear Aromatic Hydrocarbons 53
Hydrogenation of Polynuclear Oxygenated Compounds 59
Hydrogenation of Polynuclear Sulfur-Containing Compounds 59
Hydrogenation of Polynuclear Nitrogen Containing Compounds 66
Hydrogenation of Coal-Derived Products Using Transition Metal Carbonyl Complexes as Catalysts 74
Coal Liquefaction Using Transition Metal Carbonyl Catalysts 78
Mild Coal Liquefaction (T < 250ºC) 78
Coal Desulfurization 80
Coal Liquefaction Using Transition Metal Carbonyl Complexes as Catalyst Precursors 85
Conclusions and Recommendations 97
References 100
 
III Strong Acids as Catalysts for the Direct Liquefaction of Coal (915kb) 103
  Summary 108
Introduction 109
Strong Acids as Liquefaction Catalysts 114
Solid Strong Acids and Superacids 119
References 127
 
IV Coal liquefaction with liquid Clathrates (798kb) 130
  Summary 134
Introduction 135
Liquid Clathrate Formation and Principles 137
Use of Liquid Clathrates in Coal Liquefaction 145
Conclusions and Recommendations 151
References 155
 
Appendices (1.59MB)
Appendix I Data Reduction 156
Appendix II User Manual 160
Appendix III Main Program Listing 164
Appendix IV Input Program Listing 174
Appendix V Sample Data Input 178
Appendix VI Sample Output 185