Modeling alloy catalyst surfaces and bimetallic catalyst particles

163 Pages·2017·2.15 MB·English

by  John Kenneth Strohl

Iowa State University Capstones, Theses and
Retrospective Theses and Dissertations
Dissertations
1988
Modeling alloy catalyst surfaces and bimetallic
catalyst particles
John Kenneth Strohl
Iowa State University
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Strohl, John Kenneth, "Modeling alloy catalyst surfaces and bimetallic catalyst particles " (1988).Retrospective Theses and Dissertations.
9733.
https://lib.dr.iastate.edu/rtd/9733
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Modeling alloy catalyst surfaces and bimetallic catalyst particles
Strohl, John Kenneth, Ph.D.
Iowa State University, 1988
U M I
300N.ZeebRd.
Ann Aibor, MI 48106

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UMI

Modeling alloy catalyst surfaces
and bimetallic catalyst particles
by
John Kenneth Strohl
A Dissertation Submitted to the
Graduate Faculty in Partial Fulfillment of the
Requirements for the Degree of
DOCTOR OF PHILOSOPHY
Major: Chemical Engineering
Approved ;
Signature was redacted for privacy.
In Charge' of Majrfr Work
Signature was redacted for privacy.
For the Major Department
Signature was redacted for privacy.
Iowa State University
Ames, Iowa
1988
11
TABLE OF CONTENTS
Page
GENERAL INTRODUCTION 1
Surfaces and Alloy Catalysts 1
Surface Segregation 2
BIMETALLIC CATALYST PARTICLES 10
RESEARCH OBJECTIVES 12a
Explanation of Dissertation Format 12b
SECTION I. PREDICTING SURFACE SEGREGATION IN BINARY AND
TERNARY ALLOY CATALYSTS USING A MULTILAYER,
MULTICOMPONENT MODEL 13
ABSTRACT 14
INTRODUCTION 15
THEORY 20
SOLUTION OF THE MULTILAYER, MULTICOMPONENT EQUATIONS 27
RESULTS AND DISCUSSION 29
Ag-Au System 31
Cu-Nl System 35
Au-Nl System 43
Cu-Nl-Pt System 50
SUMMARY AND CONCLUSIONS 58
REFERENCES 59
APPENDIX 61
Derivation of Equation (15) In Text 61
ill
SECTION II. MONTE CARLO SIMULATIONS OF SUPPORTED
BIMETALLIC CATALYSTS 67
ABSTRACT 68
INTRODUCTION 70
THEORY 73
Procedure Used for the Pt-Ib Simulations 78
Procedure Used for Ag-Ru Simulations 80
Procedure Used for Pt-Rh Simulations 80
EXPERIMENTAL 82
RESULTS AND DISCUSSION 84
Pt-Ib System 84
Ag-Ru Results 111
Pt-Rh Results 114
CONCLUSIONS 117
REFERENCES 118
ACKNOWLEDGEMENT 120
CONCLUSIONS AND RECOMMENDATIONS 121
Recommendations 122
ADDITIONAL LITERATURE CITED 125
ACKNOWLEDGEMENTS 127b
APPENDIX A 128
Use of the Multilayer, Multicomponent Programs 128
APPENDIX B 131
Use of the Monte Carlo Bimetallic Simulation Program 131
Output Files 133