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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

In this pdf format, this document has 46 pages and is 885.38 KB.

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