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Combinatorial Operando Catalyst Research


EMSL Project ID
25401

Abstract

This is the continuation of EMSL proposal 21610. The main objective of this proposal is to build and demonstrate a combinatorial operando system for accelerated catalyst research. This system will be the first of its kind. It integrates FTIR and Raman imaging techniques jointly to a combinatorial reactor assembly for real time full product analysis and material characterization under operating conditions. The system takes advantage of the powers of (1) Raman imaging to obtain mechanistic understanding of catalytic reactions on catalyst surfaces by characterizing the adsorbed molecule-catalyst interaction, reaction precursor/intermediate states, and site structural variations; (2) FTIR imaging for rapid product analysis, and (3) a unique high throughput reactor assembly capable of evaluating multiple catalysts simultaneously. The FTIR imaging system will output at least 128x128 spectroscopic pixels every 2-seconds. It is applicable to both gas/solid and liquid/solid processes. A mass spectrometer will also used for product confirmation. High chemical specific Raman spectroscopic measurements combined with IR imaging provide unique and crucial characterization of catalytic reactions. Statistical experimental design software will be in conjunction with the combinatorial operando catalyst research (COMBOCARE) system to allow for the design of critical experimental matrices and for optimization of process parameters. Informatics that correlates catalyst performance and catalyst structural details will also be developed.

Project Details

Project type
Large-Scale EMSL Research
Start Date
2007-06-21
End Date
2010-09-30
Status
Closed

Team

Principal Investigator

David King
Institution
Pacific Northwest National Laboratory

Team Members

Guosheng Li
Institution
Pacific Northwest National Laboratory

Vanessa Dagle
Institution
Pacific Northwest National Laboratory

Zongchao Zhang
Institution
Pacific Northwest National Laboratory

Guanguang (Gordon) Xia
Institution
Pacific Northwest National Laboratory

Dehong Hu
Institution
Environmental Molecular Sciences Laboratory

Related Publications

G Li, D Hu, G Xia, Z Zhang: Catalyst Structure-Performance Relationship Identified by High-Throughput Operando Method: New Insight for Silica-Supported Vanadium Oxide for Methanol Oxidation. Topics in Catalysis 53 (2010) 40-48
Li G, D Hu, GG Xia, and ZC Zhang. 2009 "Methanol Partial Oxidation on MoO3/SiO2 Catalysts: Application of Vibrational Spectroscopic imaging Techniques in a High Throughput Operando Reactor" Topics in Catalysis 52:1381 (2009) doi:10.1007/s11244-009-9325-y
Li G, D Hu, GG Xia, JM White, and ZC Zhang. 2008. "High Throughput Operando Studies using Fourier Transform Infrared Imaging and Raman Spectroscopy." Review of Scientific Instruments 79:074101. doi:10.1063/1.2949389
Yu Sua, Heather M. Browna, Xiwen Huanga, Xiao-dong Zhoua, James E. Amonettea and Z. Conrad Zhang, "Single-step conversion of cellulose to 5-hydroxymethylfurfural (HMF), a versatile platform chemical." Applied Catalysis. A, General 361(1-2):117-122. doi:10.1016/j.apcata.2009.04.002