Program for Class WS 2003/04

Modern Methods in Heterogeneous Catalysis Research

 
Instructors Schlögl R, Jentoft F et al.
Location Seminar room CP, Fritz Haber Institute of the Max Planck Society, 
Faradayweg 16, 14195 Berlin Dahlem, (U1 Thielplatz) 
Time Schedule Friday 9:00-10:30 h and 10:45-12:15 h 

Date Time Instructor Class Title 
24.10.03 9:00-10:30 Jentoft FC
FHI - AC
Introduction: a historical approach to catalysis
10:45-12:15 Schlögl R
FHI - AC
The Concept of Model Systems in Catalysis
31.10.03 9:00-10:30 Kemnitz E
HU Berlin
Sol-Gel Based Catalyst Synthesis
10:45-12:15 Jentoft FC
FHI - AC
Calcination
7.11.03  9:00-10:30 Antonietti M
Max Planck Institute of Colloids and Interfaces
Colloid Department
Template-Assisted Synthesis of Catalytic Nanostructures
10:45-12:15 Gates BC
Chemical Engineering Dept. UC Davis
Molecular (Homogeneous) Catalysis as a Basis for Understanding Surface Catalysis
14.11.03 9:00-10:30 Breitkopf C
U Leipzig
Temporal Analysis of Products (TAP) & Steady State Isotopic Transient Kinetic Analysis (SSITKA)
Transient techniques have the capability of providing considerably more information on heterogeneous kinetics than steady-state experiments. For example, pulse response experiments can be used to identify reaction intermediates and the reaction sequence in a multistep reaction [Gleaves et al. 1988]. Data from transient experiments can also be used to determine the rate constants of elementary steps [Ertl and Engel 1979]. In addition, transient experiments are extremely useful to investigate a variety of complex kinetic phenomena, that are not observable under steady-state conditions. Another important advantage of a transient method is that it can probe catalyst surface states that are not easily observed under steady-state conditions. This would be, for example, really important in oxidation catalysis. With transient experiments, catalyst surface oxidation states can be readily manipulated and examined [Haber 1983].
Transients are introduced into a system by varying one or more state variables (i.e. pressure, temperature, concentration of flow rate).
The TAP-methods introduces a narrow pulse of gas into a system and the response is detected by a mass spectrometer. One of the key features of a TAP experiment that distinguishes it from other pulse experiments is that no carrier gas is used, and gas transport occurs via Knudsen diffusion for very small gas pressures.
In a SSITKA experiment the flow rate of one selected reactant is switched between two stable isotopic labels of this reactant. With subsequent mass spectrometer analysis the transient responses of the isotopic labels specific to different product species can be determined [Shannon and Goodwin 1995].
Both, the TAP and SSITKA method will be introduced in the lecture using latest experimental results from n-butane isomerization on sulfated zirconia (TAP) and 1-butene conversion to acetic acid over titania/vanadia-catalysts (SSITKA).
Literature:
Gleaves, J.T., Ebner J. R., Kuechler T.C.: Temporal Analysis of Products (TAP) - A unique catalyst evaluation system with submillisecond time resolution. Catal. Rev--Sci.Eng. 30(1) (1988) 49-116.
Engel T, Ertl G.: Elementary steps in the catalytic oxidation of carbon monoxide on platinum metals. Adv. Catal. 28 (1979) 1-78.
Haber J.: Cocepts in catalysis by transition metal oxides. J.P. Bonnelle et al. (Ed.) D. Reidel Publishing Company. Surface Properties and Catalysis by Non.metals. 45 (1983) 1-45.
Shannon S.L., Goodwin J.G. Jr..: Characterization of Catalytic Surfaces by Isotopic-Transient Kinetics during Steady-State Reaction. Chem. Rev. 95 (1995) 677-695.
10:45-12:15 Sundmacher K
Max Planck Institute Dynamics of Complex Technical Systems
Catalytic Distillation
Reactive distillation /  catalytic distillation / multiphase reactors / reactor modeling and simulation
Literature:
[1] Sharma, M. M., Mahajani, S.M., Industrial applications of reactive distillation, in: "Reactive Distillation" (Sundmacher K. and Kienle A. (Eds)), 2003, Wiley VCH, Germany.
[2] Taylor R., Krishna R., “Modelling reactive distillation”, Chem. Eng. Sci., 2000, 55, 5183-5229.
[3] Sundmacher, K., Ivanova, M., "Moderne Trenn- und Reaktionstechniken: Die Reaktivdestillation", Chemie in unserer Zeit, 2003, in press (available from Prof. Sundmacher)
[4] Podrebarac, G.G., Ng, F.T., Rempel, G.L., CHEMTECH, 1997, May, 37-45.
21.11.03  9:00-10:30 Niemeyer D
FHI - AC
The electrical interaction between the catalyst surface and the target gas molecules
10:45-12:15 Knop
FHI - AC
Ion Scattering Spectroscopy (ISS), Rutherford Backscattering Spectroscopy (RBS), Secondary Ion Mass Spetrometry (SIMS), Mössbauer spectroscopy
28.11.03 9:00-10:30 Ressler T
FHI - AC
Crystallography and X-ray Diffraction
presentation available on request from ressler@fhi-berlin.mpg.de
10:45-12:15 Ressler T Advanced Crystallography and X-ray Diffraction 
5.12.03  9:00-10:30 d'Itri J
U Pittsburgh and DOE
Kinetics: Experiments and Data Analysis
10:45-12:15 Baerns M
ACA Berlin
Combinatorial Methods in Catalysis
12.12.03 9:00-10:30 Feist M
HU Berlin 
Thermal Analysis
10:45-12:15 Feist M Thermal Analysis
19.12.03 9:00-10:30 Schlögl R
FHI - AC
Temperature Programmed Reaction Spectroscopy (TPRS), Temperature Programme Reduction and Oxidation (TPR, TPO)
10:45-12:15 Schlögl R Temperature Programmed Reaction Spectroscopy (TPRS), Temperature Programme Reduction and Oxidation (TPR, TPO)
9.01.04 9:00-10:30 Horn K
FHI - MP
Core and Valence Level Studies Using Photoemission
10:45-12:15 Knop A In Situ X-ray Photoelectron Spectroscopy (XPS) / In Situ X-ray Absorption Near Edge Structure Spectroscopy (XANES)
16.01.04 9:00-10:30 Ranke W
FHI - AC
Low Energy Electron Diffraction (LEED)
10:45-12:15 Urban J
FHI - AC
Structural Analysis of Nanoparticles with Electron Microscopy
23.01.04 9:00-10:30 von Helden G
FHI - MP
Gas phase cluster studies
10:45-12:15 Libuda J
FHI - CP
Molecular Beam Methods in Surface Kinetics and Catalysis
30.01.04 9:00-10:30 Conrad H
FHI - MP
Vibrational Spectroscopy with Electrons
10:45-12:15 Schomäcker R
TU Berlin
Membrane Reactors as a New Concept for Catalytic Processes
06.02.04 9:00-10:30 Karge HG
FHI
Vibrational Spectroscopy with Heterogeneous Catalysts Illustrated through Zeolite Systems I
10:45-12:15 Karge HG  Vibrational Spectroscopy with Heterogeneous Catalysts Illustrated through Zeolite Systems II
13.02.04 9:00-10:30 Schlögl R, Jentoft F NEW:SEMINAR DETAILS
10:45-12:15 Schlögl R, Jentoft F SEMINAR
20.02.04 9:00-10:30 Schöne WD
FHI - PC
Introduction into Density Functional Theory (DFT)
The density as basic variable / Theorem of Hohenberg and Kohn / The Kohn-Sham equations / Local-density approximation / Total energies and binding energies / LDA band structures and the “crisis in condensed matter theory” / Comparison with quantum chemical methods
Literature: 
[1] R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
[2] F. Aryasetiawan and O. Gunnarsson, The GW method, Rep. Prog. Phys. 61, 237 (1998).
10:45-12:15 Schöne WD Theory: Excited states
Many-body perturbation theory / One- and two-particle excitations / The GW approximation / Renormalization of single-particle states / Quasiparticle band structures / Lifetimes of excited states / Calculation of the dynamical response (spectra from LEED, inelastic x-ray scattering, etc.)
 

last modified January 19, 2004 by FJ