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Ethanol Synthesis and Water Gas Shift Over Bifunctional Sulfide Catalysts Final Technical Progress Report - 1995

Klier, Kamil
Herman, R. G.
Deemer, Michael
Richards-Babb, Michelle
Carr, Tim

Lehigh University

Table of Contents

TOC
528kb		 Title Page i
Disclaimer ii
Acknowledgements iii
Table of Contents iv
List of Tables vi
List of Figures viii
 
Section 1
1082kb		 Abstract 1
 
Introduction 3
 
Utility and Synthesis of Oxygenates for Fuels 3
Molybdenum Disulfide Catalysts 6
Structure of Molybdenum Disulfide 7
Role of Alkali Promoters in Molybdenum Disulfide 11
Section 2
636kb		 Activation and Incorporation of Carbon Monoxide 22
  Mechanism of Alcohol Synthesis From Synthesis Gas 22
Computational Aspects of CO Insertion 26
Experimental Evidence of CO Insertion 31
Section 3
824kb		 Activation of Hydrogen by Molybdenum Disulfide 37
 
Experimental Procedures 42
 
Preparation of Sulfide Catalysts 42
  Preparation of MoS2 42
10 wt% CsOOCH/MoS2 Catalyst-Sample1 43
10 wt% CsOOCH/MoS2 Catalyst-Sample2 44
CsOOCH/MoS2 = 13/87 wt% Catalyst 45
CsOOCH/MoS2 = 20/88 wt% Catalyst 45
K/MoS2 = 12.5/87.5 wt% Catalyst 46
Determination of Surface Areas 48
Catalytic Testing of MoS2-Based Catalysts 48
Theoretical Calculations 51
 
Section 4
538kb		 Results
 
Consideration of the Thermodynamic Stability of Transition Metal Sulfides 53
Investigation of Electronic Structure 57
Section 5
525kb		 Catalystic Testing of Cs/MoS2 Catalysts 66
  Air-Doped CsOOCH/MoS2 = 20/80 wt% Catalyst 66
Section 6
603kb		 Catalytic Testing of Undoped Molybdenum Disulfide 80
Testing of 13 wt% CsOOCH/MoS2 91
Section 7
739kb		 Catalytic Testing of the 12.5 wt% K/MoS2 Catalyst 97
Testing of the 10 wt% CsOOCH/MoS2 Catalyst 102
Section 8
1543kb		 Testing of 10 wt% CsOOCH/MoS2 Catalyst - Sample 2 119
X-Ray Powder Diffraction Analysis of MoS2 Catalysts 131
Section 9
613kb		 Surface Areas of the MoS2-Based Catalysts 141
 
Conclusions 149
 
References 150