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Title: Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions

Abstract

The development and optimization of catalysts and catalytic processes requires knowledge of reaction kinetics and mechanisms. In traditional catalyst kinetic characterization, the gas composition is known at the inlet, and the exit flow is measured to determine changes in concentration. As such, the progression of the chemistry within the catalyst is not known. Technological advances in electromagnetic and physical probes have made visualizing the evolution of the chemistry within catalyst samples a reality, as part of a methodology commonly known as spatial resolution. Herein, we discuss and evaluate the development of spatially resolved techniques, including the evolutions and achievements of this growing area of catalytic research. The impact of such techniques is discussed in terms of the invasiveness of physical probes on catalytic systems, as well as how experimentally obtained spatial profiles can be used in conjunction with kinetic modeling. Moreover, some aims and aspirations for further evolution of spatially resolved techniques are considered.

Authors:
 [1];  [2];  [3];  [4];  [4];  [3];  [4];  [3];  [4];  [4];  [3]
+ Show Author Affiliations
  1. School of Mechanical and Aerospace Engineering, Queen’s University Belfast, Ashby Building, Stranmillis Road, Belfast BT9 5AH, United Kingdom
  2. Department of Chemical and Materials Engineering, King Abdulaziz University, Jeddah, Saudi Arabia
  3. Fuels, Engines and Emissions Research Center, Oak Ridge National Laboratory, P.O. Box 2008, MS-6472, Oak Ridge, Tennessee 37831-6472, United States
  4. School of Chemistry and Chemical Engineering, Queen’s University Belfast, David Keir Building, Stranmillis Road, Belfast BT9 5AG, United Kingdom
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1237385
Alternate Identifier(s):
OSTI ID: 1236596
Grant/Contract Number:  
Vehicle Technologies Office; AC05-00OR22725
Resource Type:
Published Article
Journal Name:
ACS Catalysis
Additional Journal Information:
Journal Name: ACS Catalysis Journal Volume: 6 Journal Issue: 2; Journal ID: ISSN 2155-5435
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; spatial resolution; catalyst characterization; monoliths; packed beds; electromagnetic probes; physical probes

Citation Formats

Morgan, Kevin, Touitou, Jamal, Choi, Jae-Soon, Coney, Ciarán, Hardacre, Christopher, Pihl, Josh A., Stere, Cristina E., Kim, Mi-Young, Stewart, Caomhán, Goguet, Alexandre, and Partridge, William P. Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions. United States: N. p., 2016. Web. doi:10.1021/acscatal.5b02602.
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Morgan, Kevin, Touitou, Jamal, Choi, Jae-Soon, Coney, Ciarán, Hardacre, Christopher, Pihl, Josh A., Stere, Cristina E., Kim, Mi-Young, Stewart, Caomhán, Goguet, Alexandre, & Partridge, William P. Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions. United States. https://doi.org/10.1021/acscatal.5b02602
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Morgan, Kevin, Touitou, Jamal, Choi, Jae-Soon, Coney, Ciarán, Hardacre, Christopher, Pihl, Josh A., Stere, Cristina E., Kim, Mi-Young, Stewart, Caomhán, Goguet, Alexandre, and Partridge, William P. Thu . "Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions". United States. https://doi.org/10.1021/acscatal.5b02602.
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@article{osti_1237385,
title = {Evolution and Enabling Capabilities of Spatially Resolved Techniques for the Characterization of Heterogeneously Catalyzed Reactions},
author = {Morgan, Kevin and Touitou, Jamal and Choi, Jae-Soon and Coney, Ciarán and Hardacre, Christopher and Pihl, Josh A. and Stere, Cristina E. and Kim, Mi-Young and Stewart, Caomhán and Goguet, Alexandre and Partridge, William P.},
abstractNote = {The development and optimization of catalysts and catalytic processes requires knowledge of reaction kinetics and mechanisms. In traditional catalyst kinetic characterization, the gas composition is known at the inlet, and the exit flow is measured to determine changes in concentration. As such, the progression of the chemistry within the catalyst is not known. Technological advances in electromagnetic and physical probes have made visualizing the evolution of the chemistry within catalyst samples a reality, as part of a methodology commonly known as spatial resolution. Herein, we discuss and evaluate the development of spatially resolved techniques, including the evolutions and achievements of this growing area of catalytic research. The impact of such techniques is discussed in terms of the invasiveness of physical probes on catalytic systems, as well as how experimentally obtained spatial profiles can be used in conjunction with kinetic modeling. Moreover, some aims and aspirations for further evolution of spatially resolved techniques are considered.},
doi = {10.1021/acscatal.5b02602},
journal = {ACS Catalysis},
number = 2,
volume = 6,
place = {United States},
year = {Thu Jan 28 00:00:00 EST 2016},
month = {Thu Jan 28 00:00:00 EST 2016}
}
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https://doi.org/10.1021/acscatal.5b02602
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Modeling the simultaneous oxidation of CO and H2 on Pt – Promoting effect of H2 on the CO-light-off
journal, April 2011

Spatial and temporal profiles in millisecond partial oxidation processes
journal, September 2006

  • Horn, Raimund; Degenstein, Nick J.; Williams, Kenneth A.
  • Catalysis Letters, Vol. 110, Issue 3-4
  • DOI: 10.1007/s10562-006-0117-8

Spatiotemporal distribution of NOx storage and impact on NH3 and N2O selectivities during lean/rich cycling of a Ba-based lean NOx trap catalyst
journal, April 2012

High resolution optical frequency domain reflectometry for characterization of components and assemblies
journal, January 2005

  • Soller, Brian J.; Gifford, Dawn K.; Wolfe, Matthew S.
  • Optics Express, Vol. 13, Issue 2
  • DOI: 10.1364/OPEX.13.000666

Time-Resolved Measurements of Emission Transients By Mass Spectrometry
conference, October 2000

  • Partridge, William P.; Storey, John M. E.; Lewis, Samuel A.
  • International Fuels & Lubricants Meeting & Exposition, SAE Technical Paper Series
  • DOI: 10.4271/2000-01-2952

Fiber grating sensors
journal, January 1997

  • Kersey, A. D.; Davis, M. A.; Patrick, H. J.
  • Journal of Lightwave Technology, Vol. 15, Issue 8
  • DOI: 10.1109/50.618377

What drives spontaneous oscillations during CO oxidation using O2 over supported Rh/Al2O3 catalysts?
journal, April 2014

First Direct Study of the Ammonolysis Reaction in the Most Common Alkaline and Alkaline Earth Metal Hydrides by in Situ SR-PXD
journal, January 2015

  • Pistidda, C.; Santoru, A.; Garroni, S.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 2
  • DOI: 10.1021/jp510720x

Evidence for the Active Phase of Heterogeneous Catalysts through In Situ Reaction Product Imaging and Multiscale Modeling
journal, June 2015

Monitoring catalysts at work in their final form: spectroscopic investigations on a monolithic catalyst
journal, January 2012

  • Rasmussen, Søren B.; Bañares, Miguel A.; Bazin, Philippe
  • Phys. Chem. Chem. Phys., Vol. 14, Issue 7
  • DOI: 10.1039/C1CP22629K

Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during oscillatory CO oxidation
journal, August 2015

Resolving EGR Distribution and Mixing
conference, October 2002

  • Partridge, William P.; Lewis, Samuel A.; Ruth, Michael J.
  • SAE Powertrain & Fluid Systems Conference & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2002-01-2882

Three-Way Catalytic Converter Modeling and Applications
journal, January 1998

  • Koltsakis, G. C.; Kandylas, I. P.; Stamatelos, A. M.
  • Chemical Engineering Communications, Vol. 164, Issue 1
  • DOI: 10.1080/00986449808912363

Limitations of Global Kinetic Parameters for Automotive Application
conference, September 2012

  • Stewart, Jonathan; Douglas, Roy; Goguet, Alexandre
  • SAE 2012 International Powertrains, Fuels & Lubricants Meeting, SAE Technical Paper Series
  • DOI: 10.4271/2012-01-1638

In Situ MRI Study of 1-octene Isomerisation and Hydrogenation within a Trickle-bed Reactor
journal, September 2005

  • Sederman, Andrew J.; Mantle, Michael D.; Dunckley, Christopher P.
  • Catalysis Letters, Vol. 103, Issue 1-2
  • DOI: 10.1007/s10562-005-7522-2

Comparison among structured and packed-bed reactors for the catalytic partial oxidation of CH4 at short contact times
journal, August 2005

Trends of NO-, NO2-, and NH3-emissions from gasoline-fueled Euro-3- to Euro-4-passenger cars
journal, March 2008

Two-Dimensional Spatial Resolution of Concentration Profiles in Catalytic Reactors by Planar Laser-Induced Fluorescence: NO Reduction over Diesel Oxidation Catalysts
journal, January 2015

  • Zellner, Alexander; Suntz, Rainer; Deutschmann, Olaf
  • Angewandte Chemie International Edition, Vol. 54, Issue 9
  • DOI: 10.1002/anie.201410324

Remote thermometry with thermographic phosphors: Instrumentation and applications
journal, July 1997

  • Allison, S. W.; Gillies, G. T.
  • Review of Scientific Instruments, Vol. 68, Issue 7
  • DOI: 10.1063/1.1148174

Intra-fuel cell stack measurements of transient concentration distributions
journal, September 2006

Active phase evolution in single Ni/Al 2 O 3 methanation catalyst bodies studied in real time using combined μ-XRD-CT and μ-absorption-CT
journal, January 2012

  • O'Brien, Matthew G.; Jacques, Simon D. M.; Di Michiel, Marco
  • Chem. Sci., Vol. 3, Issue 2
  • DOI: 10.1039/C1SC00637A

SpaciMS: spatial and temporal operando resolution of reactions within catalytic monoliths
journal, January 2010

  • Sá, Jacinto; Fernandes, Daniel Luis Abreu; Aiouache, Farid
  • The Analyst, Vol. 135, Issue 9
  • DOI: 10.1039/c0an00303d

In situ13C DEPT-MRI as a tool to spatially resolve chemical conversion and selectivity of a heterogeneous catalytic reaction occurring in a fixed-bed reactor
journal, January 2005

  • Akpa, Belinda S.; Mantle, Michael D.; Sederman, Andrew J.
  • Chemical Communications, Issue 21
  • DOI: 10.1039/b501698c

Assessing Reductant Chemistry During In-Cylinder Regeneration of Diesel Lean NOx Traps
conference, October 2004

  • West, Brian; Huff, Shean; Parks, James
  • 2004 Powertrain & Fluid Systems Conference & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2004-01-3023

An in situ spatially resolved analytical technique to simultaneously probe gas phase reactions and temperature within the packed bed of a plug flow reactor
journal, January 2013

  • Touitou, Jamal; Burch, Robbie; Hardacre, Christopher
  • The Analyst, Vol. 138, Issue 10
  • DOI: 10.1039/c3an00250k

Tracing the conversion of aurichalcite to a copper catalyst by combined X-ray absorption and diffraction
journal, December 1991

  • Couves, John W.; Thomas, John Meurig; Waller, David
  • Nature, Vol. 354, Issue 6353
  • DOI: 10.1038/354465a0

Spatiotemporal behavior of Pt/Rh/CeO2/BaO catalyst during lean–rich cycling
journal, February 2015

2D-Mapping of the Catalyst Structure Inside a Catalytic Microreactor at Work:  Partial Oxidation of Methane over Rh/Al 2 O 3
journal, May 2006

  • Grunwaldt, Jan-Dierk; Hannemann, Stefan; Schroer, Christian G.
  • The Journal of Physical Chemistry B, Vol. 110, Issue 17
  • DOI: 10.1021/jp060371n

Optimal Design of A CPO-Reformer of Light Hydrocarbons with Honeycomb Catalyst: Effect of Frontal Heat Dispersions on the Temperature Profiles
journal, July 2011

  • Livio, Dario; Donazzi, Alessandro; Beretta, Alessandra
  • Topics in Catalysis, Vol. 54, Issue 13-15
  • DOI: 10.1007/s11244-011-9710-1

Conclusion: Challenges to Computational Catalysis
book, January 2009

  • van Santen, Rutger A.; Sautet, Philippe
  • Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers
  • DOI: 10.1002/9783527625482.ch20

Optimal design of a CH4 CPO-reformer with honeycomb catalyst: Combined effect of catalyst load and channel size on the surface temperature profile
journal, August 2011

Measurement and analysis of spatial reactor profiles in high temperature catalysis research
journal, October 2011

  • Korup, Oliver; Mavlyankariev, Sardor; Geske, Michael
  • Chemical Engineering and Processing: Process Intensification, Vol. 50, Issue 10
  • DOI: 10.1016/j.cep.2011.05.024

Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams
journal, October 2010

Optimization of Kinetic Parameters for an Aftertreatment Catalyst
conference, October 2014

  • Pedlow, Andrew; McCullough, Geoffrey; Goguet, Alexandre
  • SAE 2014 International Powertrain, Fuels & Lubricants Meeting, SAE Technical Paper Series
  • DOI: 10.4271/2014-01-2814

Visualization of water vapour flow in a packed bed adsorber by near-infrared diffused transmittance tomography
journal, December 2011

  • Nic An tSaoir, Méabh; Fernandes, Daniel Luis Abreu; Sá, Jacinto
  • Chemical Engineering Science, Vol. 66, Issue 24
  • DOI: 10.1016/j.ces.2011.08.049

Nitrogen Selectivity in Lean NOx Trap Catalysis with Diesel Engine In-Cylinder Regeneration
conference, October 2005

  • Parks, Jim; Huff, Shean; Pihl, Josh
  • Powertrain & Fluid Systems Conference & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2005-01-3876

Steady-state and transient analysis of a CH4-catalytic partial oxidation reformer
journal, September 2006

  • Tavazzi, Ivan; Maestri, Matteo; Beretta, Alessandra
  • AIChE Journal, Vol. 52, Issue 9, p. 3234-3245
  • DOI: 10.1002/aic.10938

Watching the Methanol-to-Olefin Process with Time- and Space-Resolved High-Energy Operando X-ray Diffraction
journal, July 2012

  • Wragg, David S.; O'Brien, Matthew G.; Bleken, Francesca L.
  • Angewandte Chemie International Edition, Vol. 51, Issue 32
  • DOI: 10.1002/anie.201203462

Space-Resolved Profiling Relevant in Heterogeneous Catalysis
journal, June 2009

Numerical Simulation of NO/NO2/NH3 Reactions on SCR-Catalytic Converters:Model Development and Applications
conference, April 2006

  • Chatterjee, Daniel; Burkhardt, Thomas; Weibel, Michel
  • SAE 2006 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2006-01-0468
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