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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

Team

Principal Investigator

Karl Albrecht
Institution
Archer Daniels Midland Company

Team Members

Juan Lopez-Ruiz
Institution
Pacific Northwest National Laboratory

Jianguo Wang
Institution
Zhejiang University of Technology

Donghai Mei
Institution
Tiangong University

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