Catalysis Group

Partial Oxidation, Solid-Acid Catalysis, Computational Catalysis, Microreactors, High Throughput Experimentation, Synthesis of Carbon Nanotubes, Water-Gas Shift, Environmental Catalysis, Homogeneously Catalyzed Polymerization, Surface Reconstruction, and Discovery Informatics

 

 

Purdue University

Announcements

School of Chemical Engineering

Guest Speaker: Stefan Vadja

Forney Hall of Chemical Engineering

Wednesday, 11th January 2006

480 Stadium Mall Drive

4:30 pm, FRNY G124

West Lafayette, IN 47907

Please RSVP for Brad/Aaron farewell lunch! 

 

 

Delgass Group (FRNY 2122/2124)                    765-496-3451

Delgass Labs (FRNY 3190/3192)

 

Dr. W.N. Delgass (FRNY 2164)

Phone (765) 494-4059

Ribeiro Group (FRNY 2120/2121)                     765-496-6678

Ribeiro Labs (FRNY 3182/3184)                       765-494-7271

 

Dr. F.H. Ribeiro (FRNY 2158)

Phone (765) 494-7799

Thomson Group/Lab (FRNY 117 A)                  765-496-3334

 

Dr. K.T. Thomson (FRNY 2154)

Phone (765) 496-6706

Baertsch Group (FRNY 2123/2125)

Baertsch Labs (FRNY 3150/3151)                     765-494-5891

Dr. C.D. Baertsch (FRNY 2160)

Phone (765) 496-7826

 

 

Email the Entire Catalysis Group

 

 

 

Catalysis Group Meeting Schedule

 

 

 

Upcoming Conferences

 

 

 

Call for Papers

 

 

 

 

The catalysis group is a conglomeration of the research groups of Professors W. Nicholas Delgass, Fabio Ribeiro, Kendall Thomson and Chelsey Baertsch.  While each individual group expertly represents specific subsets of catalysis, the interaction of these groups results in a research entity capable of tackling fundamental questions of catalytic activity with expertise in areas ranging from kinetic modeling to ab initio computations, model catalyst to real world catalysts, and a number of characterization techniques.  The combined facilities allow for catalyst characterization and analysis via x-ray photoelectron spectroscopy (XPS), ultraviolet-visible spectroscopy (UV-vis), fourier transform infrared spectroscopy (FTIR), BET surface area measurements, chemisorption, steady state kinetic analysis, transient isotope switching, atomic absorption spectroscopy (AAS), powder x-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) as well as  in situ characterization via diffuse reflectance fourier transform infrared spectroscopy (DRIFTS), diffuse reflectance ultraviolet-visible spectroscopy (DRUV-vis), transmission fourier transform infrared spectroscopy and attenuated total reflectance fourier transform infrared spectroscopy (ATR-FTIR).  Quantum mechanical calculations have centered around cluster and periodic calculations using density functional theory; however, many of the computations have progressed to hybridized quantum mechanical/molecular modeling (QM/MM) techniques.

 

Upcoming Talks and Posters

Conference

Title

Presenter

 

ACS National Meeting, Atlanta, GA (03-26-06 to 03-30-06)

Trapping of NOx on Pt/Ba/Al2O3 using simulated diesel exhausts

Fabio H. Ribeiro

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Recent Group Publications (2005-)

Joshi AM, Delgass WN, Thomson KT
Comparison of the catalytic activity of Au-3, Au-4(+), Au-5, and Au-5(-) in the gas-phase reaction of H-2 and O-2 to form hydrogen peroxide: A density functional theory investigation 
JOURNAL OF PHYSICAL CHEMISTRY B 109 (47): 22392-22406 DEC 1 2005

 

Bhan A, Hsu SH, Blau G, et al.
Microkinetic modeling of propane aromatization over HZSM-5 
JOURNAL OF CATALYSIS 235 (1): 35-51 OCT 1 2005

 

Taylor B, Lauterbach J, Delgass WN
Gas-phase epoxidation of propylene over small gold ensembles on TS-1 
APPLIED CATALYSIS A-GENERAL 291 (1-2): 188-198 SEP 12 2005

 

Cumaranatunge L, Delgass WN
Enhancement of Au capture efficiency and activity of Au/TS-1 catalysts for propylene epoxidation 
JOURNAL OF CATALYSIS 232 (1): 38-42 MAY 15 2005

 

Mulla SS, Chen N, Delgass WN, et al.
NO2 inhibits the catalytic reaction of NO and O-2 over Pt 
CATALYSIS LETTERS 100 (3-4): 267-270 APR 2005

 

Stangland EE, Taylor B, Andres RP, et al.
Direct vapor phase propylene epoxidation over deposition-precipitation gold-titania catalysts in the presence of H-2/O-2: Effects of support, neutralizing agent, and pretreatment 
JOURNAL OF PHYSICAL CHEMISTRY B 109 (6): 2321-2330 FEB 17 2005

 

Zhu GH, Han JY, Zernlyanov DY, et al.
Temperature dependence of the kinetics for the complete oxidation of methane on palladium and palladium oxide 
JOURNAL OF PHYSICAL CHEMISTRY B 109 (6): 2331-2337 FEB 17 2005

 

Joshi YV, Thomson KT
The roles of gallium hydride and Bronsted acidity in light alkane dehydrogenation mechanisms using Ga-exchanged HZSM-5 catalysts: A DFT pathway analysis 
CATALYSIS TODAY 105 (1): 106-121 JUL 15 2005

 

Deskins NA, Lauterbach J, Thomson KT
Lifting the Pt{100} surface reconstruction through oxygen adsorption: A density functional theory analysis 
JOURNAL OF CHEMICAL PHYSICS 122 (18): Art. No. 184709 MAY 8 2005

 

Joshi YV, Thomson KT
Embedded cluster (QM/MM) investigation of C6 diene cyclization in HZSM-5 
JOURNAL OF CATALYSIS 230 (2): 440-463 MAR 10 2005

 

Manz TA, Fenwick AE, Phomphrai K, et al.
The nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation 
DALTON TRANSACTIONS (4): 668-674 2005

 

 

 

 

Internal Links

Catalytic Synthesis of Carbon Nanotubes

Dealumination of Zeolites

Hydrogen Storage in Complex Metal Hydrides

Proton Exchange Membrane Fuel Cells and Direct Methanol Fuel Cells

 

 

 

 

External Links

Future Trends in Catalysis: Catalysis and Chemical Transformations Contractors’ Meeting