Combined Surface Characterization and Computation Study of a LaxZryOz Catalyst for the Catalytic Upgrading of Biomass-derived Compounds into Biofuels and Renewable Chemicals
EMSL Project ID
49355
Abstract
The overall goal of this proposal is to understand the specific factors responsible for the enhanced catalytic activity and stability under hydrothermal conditions of a LaxZryOz catalyst versus a baseline ZrO2 catalyst for the upgrading of biomass to biofuels and renewable chemicals. Our efforts will focus in two areas:1. Catalyst characterization to gain a fundamental understanding at atomic resolution of the solvent-catalyst surface interface in order to propose an active site configuration for computational experimentation.
2. Fundamental measurements with supporting computational investigations of the proposed active site to develop a mechanistic understanding of the properties of the catalyst-solvent interface responsible for the enhanced activity and stability. Determining the mechanism and physicochemical properties that provide enhanced activity and the surprising hydrothermal stability of our catalyst system will guide the development of new catalytic materials and new catalyst applications for systems involving hydrothermal environments.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2016-10-01
End Date
2018-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Lopez-Ruiz J.A., A.R. Cooper, G. Li, and K.O. Albrecht. 2017. "Enhanced Hydrothermal Stability and Catalytic Activity of LaxZryOz Mixed Oxides for the Ketonization of Acetic Acid in the Aqueous Condensed Phase." ACS Catalysis 531. PNNL-SA-125061. doi:10.1016/j.apcata.2016.10.025
Lopez-Ruiz J.A., A.R. Cooper, G. Li, and K.O. Albrecht. 2017. "Enhanced Hydrothermal Stability and Catalytic Activity of LaxZryOz Mixed Oxides for the Ketonization of Acetic Acid in the Aqueous Condensed Phase." ACS Catalysis 7, no. 10:6400-6412. PNNL-SA-123248. doi:10.1021/acscatal.7b01071