James A. Dumesic Steenbock Professor and Michel Boudart Professor Address/E-mail Program Affiliations Courses Education Fields of Interest Publications Awards & Honors Summary For additional information, see my

Contact Information

3014 Engineering Hall 1415 Engineering Drive Madison, WI 53706

Tel: 608/262-1095 Fax: 608/262-5434 E-mail: dumesic@engr.wisc.edu

Program Affiliations

• Chemical and Biological Engineering

• Center for Catalytic Reaction Synthesis
• The Center for Enabling New Technologies through Catalysis

Courses

• CBE 430: Chemical Kinetics and Reactor Design
• CBE 440: Chemical Engineering Materials
• CBE 535: Heterogeneous Catalysis: Principles and Applications

Education

• B.S., UW-Madison
• M.S., Ph.D., Stanford University

Fields of Interest

• kinetics and catalysis
• surface and solid-state chemistry
• in situ catalyst studies

Publications

• "Experimental and DFT Studies of Initiation Processes for Butane Isomerization over Sulfated-Zirconia Catalysts," (with Z. Hong, K.B. Fogash, R.M. Watwe, B. Kim, B. I. Masqueda-Jimenez, M.A. Natal-Santiago, and J.M. Hill), Journal of Catalysis, 178 489 (1998).
• "Kinetic Studies of Isobutane Dehydrogenation and Isobutene Hydrogenation over Pt/Sn-Based Catalysts," (with R.D. Cortright and P.E. Levin), Industrial and Engineering Chemistry Research, 37 1717 (1998).
• "Deactivation of Sulfated-Zirconia and H-mordenite Catalysts during n-Butane and Isobutane Isomerization," (with K.B. Fogash, Z. Hong, and J.M. Kobe), Applied Catalysis A, 172 107 (1998).
• "Density Functional Theory (DFT) Studies of C₁ and C₂ Hydrocarbon Species on Pt Clusters," (with R.M. Watwe, B.E. Spiewak, and R.D. Cortright), Journal of Catalysis, 180 184 (1998).
• "Studies of the Adsorption of Acetaldehyde, Methyl Acetate, Ethyl Acetate, and Methyl Trifluoroacetate on Silica," (with M.A. Natal-Santiago and J.M. Hill), Journal of Molecular Catalysis A: Chemical, 140 199 (1999).
• "DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2," (with M.A. Natal-Santiago and R. Alcala), Journal of Catalysis, 181 124 (1999).
• "Reaction Kinetic Behavior of Sulfated Zirconia Catalysts for Butane Isomerization," (with K.B. Fogash and Z. Hong), Catalysis Today, 51, 269 (1999).
• "Kinetics of Ethane Hydrogenolysis over Supported Platinum Catalysts," (with R. D. Cortright, R. M. Watwe, and B. E. Spiewak), Catalysis Today, 53, 395 (1999).
• "Selective Dehydrogenation of Isobutane over Supported Pt/Sn Catalysts," (with R. D. Cortright, and J. H. Hill), Catalysis Today, 55, 213 (2000).
• "Analyses of Reaction Schemes using De Donder Relations," Journal of Catalysis, 185, 496 (1999).
• "Microcalorimetric, Infrared Spectroscopic and DFT Studies of Ethylene Adsorption on Pt/SiO₂ and Pt-Sn/SiO₂ Catalysts," (with J. Shen, J. M. Hill, R. M. Watwe, and B. E. Spiewak), Journal of Physical Chemistry, 103, 3923 (1999).
• "Ethylene Adsorption on Pt/Au/SiO₂ Catalysts," (with J. Shen, J. M. Hill, R. M. Watwe, and S. G. Podkolzin), Catalysis Letters, 60, 1 (1999).
• "Theoretical Studies of Stability and Reactivity of CH_x Species on Ni(111)," (with R. M. Watwe , H. S. Bengaard, J. R. Rostrup-Nielsen, and J. K. Nørskov), Journal of Catalysis, 189, 16 (2000).
• "Catalytic Ramifications of Steam Deactivation of Y Zeolites: An Analysis Using 2–Methylhexane Cracking," (with G. Yaluris, and R. J. Madon), Journal of Catalysis, 186, 134 (1999).
• "Microcalorimetric, Infrared Spectroscopic and DFT Studies of Ethylene Adsorption on Pd and Pd/Sn Catalysts," (with J. M. Hill, J. Shen, and R. M. Watwe), Langmuir, 16, 2213 (2000).
• "Theoretical Studies of Stability and Reactivity of C₂ Hydrocarbon Species on Pt Clusters, Pt(111) and Pt(211)," (with R. M. Watwe, R. D. Cortright, and J. K. Nørskov), Journal of Physical Chemistry, 104, 2299 (2000).
• "Equilibrated Adsorption of CO on Silica-Supported Pt Catalysts," (with S. G. Podkolzin, J. Shen and J. J. de Pablo), Journal of Physical Chemistry, 104, 4169 (2000).
• "Ethane Hydrogenolysis over Platinum: Selection and Estimation of Kinetic Parameters," (with R. D. Cortright and R. M. Watwe), Journal of Molecular Catalysis A, 163, 91 (2000).
• "Catalytic Reduction of Acetic Acid, Methyl Acetate, and Ethyl Acetate over Silica-Supported Copper," (with M. A. Natal-Santiago, M. Sanchez-Castillo, and R. D. Cortright), Journal of Catalysis, 193, 16 (2000).
• "Gas Phase Chemistry of Metalorganic and Nitrogen-bearing Compounds," (with R. M. Watwe and T. F. Kuech), Journal of Crystal Growth, 221, 751 (2000).
• "Microcalorimetric, Infrared Spectroscopic and DFT Studies of Ethylene Adsorption on Ru, Ru/Sn and Ru/Cu Catalysts," (with J. M. Hill, R. Alcala, R. M. Watwe, and Jianyi Shen), Catalysis Letters, 68, 129 (2000).
• "DFT Studies of the Adsorption of Ethylene and Oxygen on Pt(111) and Pt3Sn(111)," (with R. M. Watwe, R. D. Cortright, M. Mavrikakis, and J. K. Nørskov), Journal of Chemical Physics, 114, 4663 (2001).
• "DFT Calculations and Monte Simulations of the co-adsorption of Hydrogen Atoms and Ethylidyne Species on Pt(111)," (with S. Podkolzin, R. M. Watwe, Q. Yan, and J. J. dePablo), Journal of Physical Chemistry B, 105, 8550 (2001).

Selected Awards, Honors and Societies

• Colburn Award, AIChE (1983)
• Emmett Award, North American Catalysis Society (1989)
• Polygon Outstanding Instructor Award (1989)
• New York Catalysis Society Award (1994)
• Benjamin Smith Reynolds Award (teaching excellence) (1995)
• Wilhelm Award, AIChE (1997)
• Elected to the National Academy of Engineering (1998)
• Parravano Award, Michigan Catalysis Society (1999)

Summary

Our research group is currently working in the broad areas of heterogeneous catalysis and surface science. Particular emphasis is given to measuring surface properties under reaction conditions and relating these properties to catalyst performance. In addition, we use computational techniques such as quantum chemical calculations and chemical reactor simulations to help us identify new catalytic systems for study.

Our experimental studies of heterogeneous catalysts typically begin with in situ determination of catalyst structure and surface properties. These characterization studies are conducted using a number of physical and chemical techniques. In this respect, we are currently using Mössbauer spectroscopy, infrared spectroscopy, temperature programmed desorption, and volumetric gas chemisorption measurements. Other techniques we use include X-ray photo-electron spectroscopy, scanning and transmission electron microscopy and X-ray diffraction. These physical and chemical measurements are accompanied by reaction kinetics measurements and isotopic tracing studies over a wide range of pressures.

Microcalorimetric measurements of differential enthalpy changes of adsorption for reactive molecules on catalyst surfaces are an important part of our research. In these studies, we use in situ infrared spectroscopy to identify conditions for which we can obtain high surface coverages for specific adsorbed species; and, we then operate our microcalorimeters at these conditions. For example, we have facilities to measure differential heats at temperatures from 100 to 700 K. These studies provide insight into factors controlling surface chemical bond strengths on the catalyst. We also use the results from our microcalorimetric measurements to compare with predictions from ab initio quantum chemical calculations of the interactions of molecules with active site clusters, thereby allowing us to identify reactive intermediates and transition states involved in chemical reaction pathways.

In addition, these measurements allow estimates to be obtained for standard entropy changes of adsorption, giving information about the mobility of adsorbed species on catalyst surfaces. The results of these surface thermodynamic studies provide a strong, quantitative basis for microkinetic analyses of reactive systems. Current work involves studies of supported metal catalysts, mixed metal oxides and zeolite catalysts. These efforts are currently being directed toward the development of environmentally benign chemical processes.

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