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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

In this pdf format, this document has 38 pages and is 2.05 MB.

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