International Assessment of Research and International Assessment of Research and Development inDevelopment in

Catalysis by Catalysis by Nanostructured Nanostructured

MaterialsMaterialsSponsors:Sponsors:

World Technology Evaluation Center, Inc.

WTEC is conducting the International Assessment of Research WTEC is conducting the International Assessment of Research and Development in and Development in Catalysis by Nanostructured MaterialsCatalysis by Nanostructured Materials, , cosponsored by the U.S. National Science Foundation (NSF), the cosponsored by the U.S. National Science Foundation (NSF), the U.S. Department of Energy (DoE), The Air Force Office of U.S. Department of Energy (DoE), The Air Force Office of Scientific Research (AFOSR) and the Defense Threat Reduction Scientific Research (AFOSR) and the Defense Threat Reduction AgencyAgency (DTRA).(DTRA).

WTEC is the leading organization in the U.S. conducting WTEC is the leading organization in the U.S. conducting international technology assessments via expert review, and international technology assessments via expert review, and has conducted over 60 such studies since 1989.has conducted over 60 such studies since 1989.

http://www.wtec.org/catalysishttp://www.wtec.org/catalysis//

World Technology Evaluation Center, Inc.

Open sources and open disseminationOpen sources and open dissemination ( (http://www.wtec.orghttp://www.wtec.org))

Mutually beneficial exchange of ideas Mutually beneficial exchange of ideas among hosts and U.S. delegationsamong hosts and U.S. delegations

Review of draft reports by hosts prior to Review of draft reports by hosts prior to public dissemination; proprietary public dissemination; proprietary considerations honoredconsiderations honored

Key Principles of WTEC StudiesKey Principles of WTEC Studies

• Identify good ideas and areas Identify good ideas and areas overseas and mechanisms for overseas and mechanisms for achieving potential collaboration achieving potential collaboration with U.S. R&D programswith U.S. R&D programs

• Clarify research opportunities and Clarify research opportunities and

needs for promoting progress in the needs for promoting progress in the field generally field generally

Overall Scope/Objectives of the Overall Scope/Objectives of the StudyStudy

• Design and Control of Synthetic Catalytic Design and Control of Synthetic Catalytic StructuresStructures

• Nanoscale Characterization of Catalysts in Nanoscale Characterization of Catalysts in Their Working StateTheir Working State

• Computation and ModelingComputation and Modeling

• ApplicationsApplications

• Further details on the study are available atFurther details on the study are available at http://www.wtec.org/catalysishttp://www.wtec.org/catalysis//

Particular Focus of the StudyParticular Focus of the Study

The Catalysis Project TeamThe Catalysis Project TeamExpert PanelExpert Panel

• Robert Davis (Chair) Robert Davis (Chair) University of VirginiaUniversity of Virginia

• Vadim Guliants Vadim Guliants University of CincinnatiUniversity of Cincinnati

• George Huber   George Huber    University of MassachusettsUniversity of Massachusetts

• Raul Lobo    Raul Lobo    University of DelawareUniversity of Delaware

• Jeffrey Miller   Jeffrey Miller    BPBP

• Matt Neurock    Matt Neurock    University of VirginiaUniversity of Virginia

• Renu Sharma    Renu Sharma    Arizona State UniversityArizona State University

• Levi Thompson Levi Thompson University of MichiganUniversity of Michigan

Other MembersOther Members

• John Regalbuto John Regalbuto NSF SponsorNSF Sponsor  • Gerald Hane Gerald Hane WTEC Representative WTEC Representative

Robert J. DavisRobert J. DavisProfessor and Chair, Department of Chemical EngineeringProfessor and Chair, Department of Chemical Engineering

University of Virginia, Charlottesville, VA 22904-4741University of Virginia, Charlottesville, VA 22904-4741

Exploring the activity and selectivity of gold Exploring the activity and selectivity of gold catalystscatalysts

Converting biorenewable molecules by catalytic Converting biorenewable molecules by catalytic oxidation and hydrogenolysisoxidation and hydrogenolysis

Transesterifying triglycerides with methanol Transesterifying triglycerides with methanol over solid base catalystsover solid base catalysts

Developing the science of immobilized Developing the science of immobilized molecular catalystsmolecular catalysts

Vadim V. GuliantsVadim V. GuliantsDepartment of Chemical and Materials Engineering, University of Department of Chemical and Materials Engineering, University of

CincinnatiCincinnati

• Rational design of catalytic mixed metal oxides Rational design of catalytic mixed metal oxides from atoms and molecules to macroscale entitiesfrom atoms and molecules to macroscale entities

• Understanding process chemistry and structural Understanding process chemistry and structural physics of nanocrystalline, nanoporous and physics of nanocrystalline, nanoporous and microemulsion systems by tying together material microemulsion systems by tying together material engineering principles, surface science and engineering principles, surface science and materials chemistrymaterials chemistry

• Current projectsCurrent projects

– Interfacially stabilized metallic nanoparticles for Interfacially stabilized metallic nanoparticles for partial oxidation and reforming of biomass and other partial oxidation and reforming of biomass and other sourcessources

– Biomimetic systems for biocatalytic production of Biomimetic systems for biocatalytic production of pharmaceuticals and fine chemicalspharmaceuticals and fine chemicals

– Self-assembly of nanostructured materials for Self-assembly of nanostructured materials for selective alkane oxidation catalysis and gas selective alkane oxidation catalysis and gas separationsseparations

George W. HuberGeorge W. HuberUniversity of Massachusetts- AmherstUniversity of Massachusetts- Amherst

• Breaking the Chemical and Engineering Breaking the Chemical and Engineering Barriers to Lignocellulosic BiofuelsBarriers to Lignocellulosic Biofuels

• Aqueous-Phase Processing of Biomass-Aqueous-Phase Processing of Biomass-Derived OxygenatesDerived Oxygenates– Hydrogen using Aqueous-Phase Hydrogen using Aqueous-Phase

ReformingReforming– Light alkanes by Aqueous-Phase Light alkanes by Aqueous-Phase

Dehydration/Hydrogenation (APD/H)Dehydration/Hydrogenation (APD/H)– Liquid Alkanes Production with Liquid Alkanes Production with

Combined Dehydration, Aldol-Combined Dehydration, Aldol-condensation and APD/H.condensation and APD/H.

• Utilization of Petroleum Refining Utilization of Petroleum Refining Technologies for Biofuels ProductionTechnologies for Biofuels Production– Catalytic Cracking Catalytic Cracking – HydrotreatingHydrotreating

• Catalytic Fast PyrolysisCatalytic Fast Pyrolysis

• Catalytic Upgrading of Bio-oilsCatalytic Upgrading of Bio-oils

C D

A B

Raul LoboRaul LoboUniversity of DelawareUniversity of Delaware

•Photocatalysis by Microporous MaterialsPhotocatalysis by Microporous Materials•Bimetallic Nanoparticles in Zeolite CatalystsBimetallic Nanoparticles in Zeolite Catalysts•Nanoporous Carbon StructuresNanoporous Carbon Structures•Fundamentals of zeolite synthesisFundamentals of zeolite synthesis

ETS-10ETS-10

50

40

30

20

10

0

N (

mol

*10-6

)

12010080604020Time (min)

PdAg/K+--zeolite

EthaneEthylene

Acetylene

Overall Mass Balance

Selective Acetylene HydrogenationSelective Acetylene Hydrogenation

Jeffrey T. MillerJeffrey T. MillerBP Chemical CompanyBP Chemical Company

• Molecular sieve and zeolite catalysisMolecular sieve and zeolite catalysis

• Metal Nanoparticle CatalysisMetal Nanoparticle Catalysis– Synthesis methods for: Synthesis methods for:

• Particles of different sizeParticles of different size• Supported and unsupported particlesSupported and unsupported particles• Novel and uniform alloy compositionNovel and uniform alloy composition

– Effect of composition on intrinsic kinetic Effect of composition on intrinsic kinetic and chemisorption propertiesand chemisorption properties

• In-situ X-ray absorption spectroscopyIn-situ X-ray absorption spectroscopy– Influence of composition on XANES Influence of composition on XANES

spectraspectra– Influence on composition on structureInfluence on composition on structure– Determination of transient kinetic Determination of transient kinetic

effects in the preparation, pretreatment effects in the preparation, pretreatment and under reaction conditionsand under reaction conditions

– Advanced methods of XAFS Advanced methods of XAFS spectroscopy and analysisspectroscopy and analysis

Matthew NeurockMatthew Neurock

Computational Heterogeneous CatalysisComputational Heterogeneous Catalysis

Ab initio and Multiscale Methods for Catalysis.Ab initio and Multiscale Methods for Catalysis.

Computational Catalyst and Materials Design. Computational Catalyst and Materials Design.

Applications:Applications:

Simulation Complex Catalytic Environments. Simulation Complex Catalytic Environments.

Departments of Chemical Engineering and Chemistry Departments of Chemical Engineering and Chemistry University Of Virginia, Charlottesville, VA.University Of Virginia, Charlottesville, VA.

Fuel Cell ElectrocatalysisFuel Cell ElectrocatalysisConversion of Biorenewable FeedsConversion of Biorenewable FeedsHeterogeneous Catalysis in SolutionHeterogeneous Catalysis in SolutionAlkane ActivationAlkane ActivationOxygenate SynthesisOxygenate SynthesisAutomotive Exhaust TreatmentsAutomotive Exhaust TreatmentsAcid Catalyzed ConversionAcid Catalyzed ConversionCatalyst DeactivationCatalyst Deactivation

In situ observations of Redox behavior of In situ observations of Redox behavior of individual catalyst nanoparticles.individual catalyst nanoparticles.

In situ observations of the growth of the In situ observations of the growth of the carbon nanotubes and Si nanowires during carbon nanotubes and Si nanowires during catalytic chemical vapor deposition.catalytic chemical vapor deposition.

Areas of ExpertiseAreas of Expertise

Development of transmission electron Development of transmission electron microscopy based techniques for microscopy based techniques for in situin situ observations of catalyst nanoparticles at high observations of catalyst nanoparticles at high temperature and in gaseous environment.temperature and in gaseous environment.. .

5 nm

High resolution images and High resolution images and electron energy-loss spectra electron energy-loss spectra (inset) Unreduced (top) and (inset) Unreduced (top) and reduced (bottom) particle during reduced (bottom) particle during heating in 1.5 Torr Hheating in 1.5 Torr H22 at 580C at 580C

http://www.asu.edu/clas/csss/csss/index.html?http%3A//www.asu.edu/clas/csss/csss/People/sharma.html

Renu SharmaRenu Sharma Arizona Sate UniversityArizona Sate University

Areas of ResearchAreas of Research

Atomic-level characterization of gas-solid Atomic-level characterization of gas-solid interactions of catalytic processes during interactions of catalytic processes during synthesis and functioning of nanomaterials. For synthesis and functioning of nanomaterials. For example,example,

Levi T. ThompsonLevi T. ThompsonUniversity of MichiganUniversity of Michigan

• Nanostructured Carbide and Nitride CatalystsNanostructured Carbide and Nitride Catalysts– Methanol/Ethanol Steam ReformingMethanol/Ethanol Steam Reforming– Water Gas ShiftWater Gas Shift– Selective HydrogenationSelective Hydrogenation– Base Catalyzed ReactionsBase Catalyzed Reactions

• Novel Fuel Processing MaterialsNovel Fuel Processing Materials– Nanostructured Gold and Palladium CatalystsNanostructured Gold and Palladium Catalysts– Nanostructured Sulfur SorbentsNanostructured Sulfur Sorbents

• NOx Selective Catalytic ReductionNOx Selective Catalytic Reduction

• Nano- and Microstructured SystemsNano- and Microstructured Systems– PEM Fuel CellsPEM Fuel Cells– Lithium Ion BatteriesLithium Ion Batteries– Hydrocarbon Fuel ProcessorsHydrocarbon Fuel Processors– Photoelectrochemical CellsPhotoelectrochemical Cells

Design of UM-PEMFC

Cathode

Standard Electrolyte

Anode

DielectricLayer

DielectricLayer

Silicon Base

Heaters/Sensors

DRIE for Gas Access

Contact Holes

Contacts

Catalyst Layer

~70 nm ~1.1 µm

Asia Sites To Be Visited (1)Asia Sites To Be Visited (1)CHINACHINA• Tsinghua UniversityTsinghua University

• Tianjin University (meeting Tianjin University (meeting elsewhere)elsewhere)

• Research Institute of Petroleum Research Institute of Petroleum Processing, Processing, Sinopec Sinopec

• Beijing UniversityBeijing University

Asia Sites To Be Visited (2)Asia Sites To Be Visited (2)

CHINACHINA

• Institute of Coal Chemistry Institute of Coal Chemistry

• Dalian Institute of Chemical Dalian Institute of Chemical PhysicsPhysics

• Dalian University of TechnologyDalian University of Technology

Asia Sites To Be Visited (3)Asia Sites To Be Visited (3)

JAPANJAPAN• The Photon factoryThe Photon factory

• Tsukuba UniversityTsukuba University

• University of TokyoUniversity of Tokyo

• Advanced Industrial Science and Advanced Industrial Science and TechnologyTechnology

Asia Sites To Be Visited (4)Asia Sites To Be Visited (4)JAPANJAPAN• University of HokkaUniversity of Hokkaidoido

• HitachiHitachi CorporationCorporation

• Tokyo Metropolitan UniversityTokyo Metropolitan University

• Toyota Corporation Toyota Corporation

• Tokyo Institute of Technology Tokyo Institute of Technology 

Asia Sites To Be Visited (4)Asia Sites To Be Visited (4)

S. KOREAS. KOREA

• Korea Advanced Institute of Science Korea Advanced Institute of Science and Technologyand Technology

• Seoul National UniversitySeoul National University

Europe Sites To Be VisitedEurope Sites To Be VisitedDENMARKDENMARK• ……..FRANCEFRANCE• ……....FINLAND FINLAND • ……..GERMANYGERMANY • ……....

NETHERLANDSNETHERLANDS • ……SPAINSPAIN• ……..SWITZERLANDSWITZERLAND• ……....UNITED KINGDOM UNITED KINGDOM

Study ScheduleStudy Schedule

20072007• Kickoff MeetingKickoff Meeting 8 February8 February

• Asia site visits Asia site visits 2-9 June2-9 June

• Europe Site VisitsEurope Site Visits 22-29 September22-29 September

• 28-29 November28-29 November Final WorkshopFinal Workshop

• February 2008 February 2008 Final ReportFinal Report

Thank You! Thank You!