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Coal Liquefaction: Investigation of Reactor Performance, Role of Catalysts and PCT Properties: Technical Progress Report - 1984

Brainard, Alan J.
Shah, Yatish T.
Tierney, John W.
Wender, Irving
Albel, Rajendra
Bhattacharjee, Sekhar
Sebastian, Joseph
Seshadri, Kalkunte

University of Pittsburgh

Table of Contents

I

 Appendix A - Computer Simulator for a Direct Coal Liquefaction Reactor (1.49MB) - Beginning with page 24.
  Summary I-1
Introduction I-2
Model Development I-4
Use of Simulator I-8
Estimation of Kinetic Parameters from Simulator I-13
Conclusions and Recommendations I-17
Nomenclature I-19
References I-19
 
Appendix I-A (2.34MB) I-A-1
Appendix I-B (106kb) I-B-1
Appendix I-C (1.32MB) I-C-1
Appendix I-D (860kb) I-D-1
 

II

 The Indirect Liquefaction of Coal (Part 1 - 3.01MB) (Part 2 - 3.37MB)
  Summary II-1
The Fischer Tropsch and Related Reactions II-4
Introduction II-4

A

 Fischer-Tropsch Synthesis II-7
Chemistry of the Fischer-Tropsch Synthesis II-13
Thermodynamics of the Fischer-Tropsch Synthesis II-15
Kinetics of the Fischer-Tropsch Synthesis II-20
The SASOL Plants II-21
On the Mechanism of the Fischer-Tropsch Synthesis II-26
The Carbide Mechanism II-35
The Hydroxycarbene Mechanism II-36
The Carbon Monoxide Insertion Mechanism II-37
The CHx Stepwise Polymerization Mechanism II-39
The Effect of Temperature II-43
Promoters II-43
Gas Composition and Reaction Pressure II-44
Deactivation of Catalysts II-44
B The Kolbel-Engelhardt (K-E) Synthesis II-46

C

 The Isosynthesis II-49
References II-52
Methanol Synthesis and Uses as a Fuel, as a Chemical and as a Chemical Precursor II-60
Introduction II-60
History of Methanol Production II-62
Chemistry of Methanol Synthesis II-64
Kinetics II-68
Feedstocks II-69
Process Technology and Reactors II-69
Liquid-Phase Methanol Synthesis II-70
Other Reactions for Methanol Synthesis II-71
Methanol from Coal II-72
References II-74
Hydrocarbons from Methanol and Other Substrates using Shape Selective Catalysts: The Mobil's Methanol-To-Gasoline (MTG) Technology II-77
Introduction II-77
Shape Selective Catalysts: The Mobil (MTG) Process II-78
Operation of the MTG Process - Reaction Design in the MTG Process II-83
The Mobil Two-Stage Fischer-Tropsch (MFT) Process II-85
Use of Bifunctional Catalysis II-87
References II-89
Methanol and Higher Alcohols as fuels II-92
Introduction II-92
Dissociated Methanol as a Fuel for Automobiles and Gas Turbines II-96
Gas Turbines II-96
Ethanol as a Transportation Fuel II-97
Ethanol Directly from Syngas II-99
The Homologation of Methanol to Ethanol II-102
References II-105
Synthesis of Higher Alcohols II-108
References II-112
Chemicals from Syngas II-114
Introduction II-114
Formaldehyde II-116
Acetic Acid II-116
Acetic Anhydride II-116
Methyl Formate, Formamide and Formic Acid II-118
Ethylene Glycol II-118
Synthesis Using Syngas as CO Plus Another Chemical not Derived from Syngas: The Hydroformylation (OXO) Reaction II-120
Synthesis of Lower Olefins and Aromatics from Syngas II-121
References II-123
 
III The Physical, Chemical, and Thermodynamic Properties (PCT) of Products from Direct Coal Liquefaction Processes (Part 1 - 3.3MB) (Part 2 - 2.82MB)
  Summary III-1
Viscosity of Coal Liquids and Slurries III-4
Introduction III-4
Summary of Available Data III-6
Vacuum Tower Bottoms Viscosities III-6
Vacuum Flash Feed Ciscosities III-10
Viscosity Data for Coal Liquid Fractions III-14
Effect of Solids Concentration and Temperature on Viscosity III-18
Correlations III-19
Correlation for Coal Liquid Fractions III-19
Correlation for SRC-II Recycle Slurry III-24
Correlations for Process Solvent - SRC Mixtures and Feed Coal Slurry III-25
Feed Coal Slurry III-25
Summary and Recommendations III-27
Nomenclature III-30
References III-32
Thermal Conductivity of Coal Liquids and Slurries III-44
Introduction III-44
Measurement Techniques III-44
Summary of Available Data III-45
Correlations III-49
Summary and Recommendations III-51
Nomenclature III-53
References III-54
Vapor Pressure of Coal Liquids III-58
Introduction III-59
Estimation of Critical Temperature and Pressure III-59
Critical Temperature III-59
Experimental Determination of Vapor Pressure of Coal Liquids III-60
Correlation for Estimating the Vapor Pressure of Coal Liquefaction Products III-61
Discussion III-65
Conclusions III-67
Nomenclature III-68
References III-96