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Atomic-Scale Design of
Iron Fischer-Tropsch Catalysts: A Combined Computational Chemistry,
Experimental, and Microkinetic Modeling Approach.
First Annual Report - March 2005.
University of
Wisconsin
Dumesic, James A.
Mavrikakis, Manos
Gokhales, Amit A.
Nabar, Rahual P.
Brigham Young University
Bartholomew, Calvin H.
Zou,
Dr. Hu
Critchfield,
Brian
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Table
of Contents
Disclaimer |
ii |
Abstract |
iii |
Table of Contents |
iv |
Introduction |
1 |
|
A. |
Background |
1 |
B. |
Work Statement |
2 |
1. |
Objectives |
2 |
2. |
Scope |
2 |
3. |
Tasks |
2 |
4. |
Deliverables |
3 |
Executive Summary |
4 |
Experimental Procedures |
6 |
|
A. |
Preparation of Alumina Binder and Supported Fe Catalysts |
6 |
1. |
Preparation of stabilized y-Al2O3 |
6 |
2. |
Preparation of 1 wt% Al2O3/99 wt% Fe Catalyst |
6 |
3. |
Preparation of Al2O3-Promoted Iron Catalysts with 1 wt% K, or 1 wt% Pt Promoters |
6 |
4. |
Preparation of 10 wt% Fe/Al2O3 Catalysts |
7 |
5. |
Preparation of 20 wt% Fe/Al2O3 Catalysts |
7 |
B. |
Characterization of Supports and Fe Catalysts |
7 |
1. |
BET measurements |
7 |
2. |
TGA-TPR, CO adsorption measurements |
7 |
3. |
Bulk reduction treatment |
7 |
4. |
H2 Chemisorption Measurements |
8 |
5. |
XRD measurements |
8 |
6. |
TEM images |
8 |
C. |
Construction of Mass-Spectroscopy TPD and Berty CSTR Reactor Systems |
8 |
Theoretical Methods |
10 |
Results and Discussion based on Experiments |
11 |
A. |
Preparation of Catalysts |
11 |
|
B. |
BET Surface Area and Pore Diameter of Supports |
12 |
C. |
TGA-TPR Measurements |
12 |
99FeA Catalyst |
12 |
99FeAK Catalyst |
16 |
99FeAPt Catalyst |
17 |
10FeA Catalysts |
18 |
20FeA-A/E catalysts |
21 |
D. |
H2 Chemisorption Measurements |
23 |
E. |
XRD Measurements |
23 |
F. |
TEM Measurements |
26 |
Results and Discussion based on First Principles Calculations |
28 |
Conclusions |
32 |
|
A. |
Conclusions |
32 |
B. |
Schedule of Tasks |
33 |
References |
33 |
|