Heterogeneous Catalysis for Thermochemical Conversion

Our mission is to transform thermal biomass deconstruction products (syngas and pyrolysis oil) into the fuels and chemicals that keep society moving forward.

Illustration of a stacked series of red and grey spheres in a square shape, where red spheres represent oxygen and grey spheres represent titanium) with a stack of orange and small white spheres, where orange spheres represent platinum and white spheres represent hydrogen, in a square shape on top. This central figure of spheres depicts a hydrogen covered platinum particle (orange and white spheres) on top of a titania support (red and grey spheres). A m-cresol molecule is shown in the upper left of the image. A blue arrow starts at the m-cresol molecule, continues over the platinum particle, and ends at molecular images of methylcyclohexanol and methylcyclohexanone. Text above the blue arrow indicates that this process occurs at 523 Kelvin and 2.0 megapascal. A separate red arrow starts at the same m-cresol molecule, continues over the titania support, and ends at a molecular image of toluene. Text next to the red arrow indicates that this process occurs at 623 Kelvin and 0.5 megapascal.

Illustration showing a brown circle on the left labeled Mo-amine with a white outer ring labeled Hydrophobic and a series of molecular structure images for trimethylsilyl groups at the bottom of the circle. This left image is a close-up inset of a series of six cylinders, brown on the inside and white on the outside, arranged around one central cylinder, and depicts a pore of a mesoporous SBA-15 silica that has been surface-modified with trimethylsilyl groups to retain a hydrophobic molybdenum-amine gel. It is labeled Surface-modified SBA-15. A black arrow leads to the right side of the graphic illustrated by a series of six white cylinders arranged around one central white cylinder, each with varying numbers of black dots inside, and labeled Interior NP-MoC1-x. A yellow-fading-to-green arrow goes from a molecular image of acetic acid in the upper right to molecular structures of acetone and acetaldehyde in the lower right and is labeled Acetic Acid HDO. This right side depicts that after heat treatment nanoparticles of MoC1-x are generated within the pores of the SBA-15 and the resulting catalyst performs acetic acid HDO, converting acetic acid into acetone and acetaldehyde.

Illustration showing molecular images of phenolics, acids, and ketones and aldehydes on the left side in a blue-outlined box labeled Intermediates Derived from Fast Pyrolysis. It represents molecules formed from the thermal pyrolysis of biomass. A green arrow pointing left to right above the center of the image and labeled Bifunctional Catalysis indicates that the oxygenated molecules formed in pyrolysis of biomass are deoxygenated using a bifunctional catalyst. The center image shows a molecular illustration of a two-function catalyst surface where one side of an oxygenated molecule (a purple tab labeled Material 1) interacts with one catalyst and the other side (an orange tab labeled Material 2), containing a carbon oxygen bond, interacts with the second catalyst. The right side of the image shows molecular images of deoxygenated chemical and fuels and is inside a green-outlined box. It represents deoxygenated molecules that result from interaction with the catalyst.

Synergistic effects between Pt and TiO₂ lead to enhanced deoxygenation of m-cresol under catalytic fast pyrolysis conditions.

A hard-template synthetic route was developed to directly grow MoC_1-x nanoparticles in the pores of a surface-modified mesoporous silica template, generating hydrodeoxygenation catalysts with increased acid-site reactivity.

Bifunctional catalysts for upgrading of biomass-derived oxygenates: a review.

Full Publications List

Molecular, atomic, and nanoscale images of catalysts

Design and Synthesis

Our innovative synthesis techniques have led to the discovery of new catalytic materials, including diverse nanoparticle architectures.

Model of Cu-modified beta zeolite, TEM image of catalyst and FTIR spectrum for pyridine adsorption

Characterization

We characterize the physical and chemical properties of solid catalysts with emphasis on active site functionality using state-of-the-art techniques.

Model catalyst surface with graphs showing catalyst conversion and product yield

Testing and Scale-Up

Our evaluation of catalyst performance in reactors at multiple scales identifies top-performing materials and informs the design and operation of pilot plants.

Model catalyst surface with adsorbed intermediates relevant to reactions in guaiacol upgrading

Computational Studies

We use first-principles-based reaction energetics coupled with kinetic models to predict catalyst performance under realistic reaction conditions.

Research Team

Group photo of people standing in a field of natural grasses.

Principal Investigators

Eric Nelson

Seth Noone

Erick White

Matt Yung

Scientists

Postdoctoral Researchers

Carrie Farberow

Kurt Van Allsburg

Technicians

Kellene Orton

Scott Palmer

Glenn Powell

Jim Stunkel

Jason Thibodeaux

Graduate Students/Interns

Patrick Coan

Martin Menart

Mary O'Connor

Sarah Paleg

Allison Robinson

Alex Stanton

Vanessa Witte

Mengze Xu

Alumni

Mayank Behl, Intel Corporation

Glen Ferguson

Ming Pan, BASF

Related and Integrated Programs

Biomass Feedstocks

Chemical and Materials Science

Computational Modeling

Economic, Sustainability, and Market Analysis

Thermochemical Process Integration, Scale-Up, and Piloting

Collaborators

Argonne National Laboratory

Colorado School of Mines

Georgia Institute of Technology

Johnson Matthey

University of Colorado, Boulder

University of Kansas

University of Michigan

University of Southern California

Funding for this program is provided by the Bioenergy Technologies Office, a division of DOE's EERE Office, as well as NREL's Laboratory Directed Research and Development Program. We are grateful for their ongoing support.

Heterogeneous Catalysis for Thermochemical Conversion

Design and Synthesis

Characterization

Testing and Scale-Up

Computational Studies

Research Team

Principal Investigators

Frederick G. Baddour

Inorganic and Nanomaterials Chemist, Research Scientist

Jack Ferrell

Research Engineer

Susan Habas

Senior Scientist

Jesse Hensley

Supervisor — Thermochemical Catalysis R&D Supervisor

David Johnson

Project Lead, Catalytic Upgrading of Sugars

Kim Magrini

Catalysis and Thermochemical Sciences Group Manager, Principal Scientist

Mark Nimlos

Principal Scientist

Dan Ruddy

Inorganic and Materials Chemist, Senior Scientist

Josh Schaidle

Thermochemical Conversion Platform Manager and Research Engineer

Engineers