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Atomic-Scale Design of
Iron Fischer-Tropsch Catalysts: A Combined Computational Chemistry,
Experimental, and Microkinetic Modeling Approach.
Second Annual Report - March
2006.
Dumesic, James A.
University of
Wisconsin
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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 |
Results and Discussion based on Experiments |
6 |
|
A. |
Chemical and Physical Properties of Unsupported and Supported Fe Catalysts Prepared by Aqueous and Nonaqueous Methods |
6 |
B. |
Fe Crystallite Diameters from EDX, Compared with XRD, TEM, and H2 Chemisorption |
7 |
C. |
CO-Temperature-Programmed Desorption (TPD) and Hydrogenation (TPH) |
10 |
1. |
CO adsorption and TPD measurements on unsupported iron catalysts by Mass-spectrometer |
10 |
2. |
TPH measurements by mass-spectrometry |
13 |
3. |
TPR measurements on supported iron catalysts by TGA and MS |
18 |
4. |
TPH measurements on supported iron catalysts by TGA |
20 |
D. |
Activity tests |
25 |
E. |
Results of Statistically Designed for Determining Kinetic Constants for an FTS Reaction Model |
27 |
1. |
Collection data |
27 |
2. |
Determining kinetic coefficients |
29 |
Results and Discussion based on First Principles Calculations |
32 |
Conclusions and Plans |
39 |
|
A. |
Conclusions |
39 |
B. |
Plans (coming year) |
40 |
C. |
Schedule of Tasks |
41 |
References |
42 |
|