Neutrons for Catalysis:
A Workshop on Neutron Scattering Techniques for Studies in Catalysis

September 16-17, 2010 • Oak Ridge National Laboratory • Oak Ridge, TN, USA
 
filler

Neutrons for Catalysis:
A Workshop on Neutron Scattering Techniques for Studies in Catalysis

Oak Ridge National Laboratory, Spallation Neutron Source, Building 8600
September 16-17, 2010, Iran Thomas Auditorium, Room A-103

Agenda in PDF format

Thursday, September 16, 2010
7:15 am Shuttle bus leaves Comfort Inn hotel
7:30 Registration; Breakfast available (Atrium)
8:00 Introduction and Program Overview
  • Michelle Buchanan, Oak Ridge National Laboratory
  • Pappannan Thiyagarajan, US DOE
8:10 Meeting Grand Challenges in Catalysis through Neutron Scattering Techniques    
Moderators:  Phil Britt, Ken Herwig Each presentation will be 30 minutes with 10 minutes Q&A
  • Bruce Gates, University California at Davis, “Grand challenges in catalysis research:  understanding catalysis at the atomic scale as a basis for design of catalytic structures”
  • Juergen Eckert, University of California, Santa Barbara,  “Neutrons as microscopic probes in heterogeneous catalysis” 
9:30 Break  (Atrium)
9:45 Probing Dynamics of Molecules in Catalysts Systems by Inelastic Neutron Scattering  
Moderators:  Steve Overbury, David Wesolowski Each presentation will be 30 minutes with 5 minutes Q&A.
  • Peter Stair, Northwestern University, “Some Thoughts About Surface Hydroxyl Groups and Catalysis”
  • Peter Albers. AQura, “Applications of Neutron Scattering and Chemical Industry Characterizations of Technical Catalysis from Operating Large Scale Plans, Hydrogen Species on Fuel Cell Catalysis”                                    
  • Eugene Mamontov, Oak Ridge National Laboratory, “What can we learn about the mobility of species in catalytic systems using quasielastic neutron scattering?” 
Discussion follows (40 minutes)
12:10 pm Lunch and open discussion (Atrium)
1:00 Structural Characterization of Catalysts and Catalytic Materials 
Moderators:  Viviane Schwartz, Takeshi Egami Each presentation will be 30 minutes with 5 minutes Q&A
  • J. van Bokhoven, ETH  Zurich, “Shining light on catalysts”
  • Thomas Proffen, Los Alamos National Laboratory, “Advanced Characterization of Materials using Total Scattering” 
Discussion follows (40 minutes)
2:50 Break (Atrium) and Group Photo
3:00 Probing Biocatalysis by Neutron Scattering Methods
Moderator: Dean Myles.  Each presentation will be 30 minutes with 5 minutes Q&A
  • Robert Blankenship, Washington University of St. Louis, “Neutron Scattering Studies of Photosynthetic Energy Transduction Complexes”
  • Paul Langan,  Los Alamos National Laboratory. “Neutrons for biocatalysis”
Discussion follows (30 minutes)
4:40 Break-out Session I – Attacking Grand Challenge problems with neutron experiments
  • Structure (SNS Iran Thomas Auditorium): Breakout facilitator: Mike Simonson, Breakout spokesman: Henry Lamb, Scribes:  Viviane Schwartz, Ashfia Huq
  • Dynamics (SNS Room C-152); Breakout facilitator:  Phil Britt, Breakout spokesman:  Rob Rioux, Scribes:  Michelle Kidder
  • Biocatalysis  (SNS Room C-464): Breakout facilitator: Dean Myles, Breakout spokesman: Andreas Bommarius, Scribes:  Leighton Coates
6:30 Reception, Dinner, and Tour of SNS (Atrium)
8:30 Buses depart SNS for hotel (SNS flagpole)

Friday, September 17, 2010
7:15 am Buses depart hotel
7:30 Breakfast available (Atrium)
8:00 Results of Break-out Session I
  • Dynamics (Robert Rioux, Pennsylvania State University)   (10 minutes)
  • Structure (Henry Lamb, North Carolina State University)   (10 minutes)
  • Biocatalysis (Andreas Bommarius, Georgia Institute of Technology)   (10 minutes)
Clarification and Q&A (10 minutes)
8:40 Modeling of Catalysts, Catalysis and Neutron Experiments; A crosscutting activity
Moderators:  Peter Cummings, Bobby Sumpter. Each presentation will be 30 minutes with 5 minutes Q&A
  • David Sholl, Georgia Institute of Technology, “Combining theory and neutron scattering to understand molecular diffusion in porous solids”. 
  • A.J. Ramirez-Cuesta, ISIS Facility, STFC, Rutherford Appleton Laboratory, “The Power of Inelastic Neutron Scattering: Vibrational Spectroscopy of hydrogen - applications to catalysis”
Discussion follows 20 minutes)
10:10 Discussion of proposal preparation
Dean Myles
10:20 Break-out Session II –  P-o-p experiments, proposal preparation, crosscutting activities
  • Structure (SNS Iran Thomas Auditorium): Breakout facilitator: Mike Simonson, Breakout spokesman: Henry Lamb, Scribes:  Viviane Schwartz
  • Dynamics (SNS Room C-156); Breakout facilitator:  Phil Britt, Breakout spokesman:  Rob Rioux, Scribes:  Michelle Kidder
  • Biocatalysis  (SNS Room C-152): Breakout facilitator: Dean Myles, Breakout spokesman: Andreas Bommarius, Scribes:  Leighton Coates
12:00 pm Lunch, Closing Remarks and Wrap-up (SNS Iran Thomas Auditorium) 
1:00 CNMS Discovery Seminar (SNS Iran Thomas Auditorium) 
Simon Bare, UOP , LLC, “Development and Applications of an Program for in situ XAFS Studies for Catalyst Characterization at UOP”
2:00 Discussion of Workshop published output (SNS Room C-156)
Speakers, spokesmen, facilitators (invitation only)
2:10-5:00 Preparation of Workshop Summary Report  (SNS Room C-156)
Session facilitators, spokesmen, scribes, others (invitation only)

 

filler
 
 
Webmaster  •  Privacy & Security Disclaimers 

Oak Ridge National Laboratory, is a national multiprogram research and development facility
managed by UT-Battelle, LLC, for the U.S. Department of Energy Office of Science.