Modeling Oxygen Transport in Redox Materials for Hydrogen Generation from Thermochemical Water-Splitting Reaction

Background

Hydrogen has a great potential to replace fossil fuels and contribute to clean energy by reducing the environmental carbon footprint. A two-step cyclic thermochemical water-splitting process utilizing mixed valence metal oxides (MO)-based redox reactions for the hydrogen production is considered one of the less energy intensive and environmentally friendly processes. In step-1, the reduced MO is contacted with water at lower temperatures, which produces hydrogen whereas, in step-2, oxidized MO is regenerated at a higher temperature. The cyclic nature of the process causes thermal fatigue in the redox materials leading to grain growth and sintering. Consequently, stable hydrogen production is not realized. The proposed work is aimed at developing fundamental understanding of solid-state oxygen transport properties in redox materials and kinetics of thermochemical water-splitting reaction for hydrogen production. 

Project Details

Specific tasks include- 1) diffusivity calculations and numerical modeling, 2) COMSOL modeling to understand oxygen diffusion parameters for the packed-bed reactor, 3) determine pressure drop, conversion and concentration gradient using COMSOL, 4) reaction kinetics, 5) impedance spectroscopy, and 6) modeling of impedance data to determine oxygen transport properties in redox materials.  All these tasks will be performed under the supervision of the mentors and while working on these tasks, a student will receive significant training in both experimental and modeling work in the proposed gas-solid reaction system.  

Skills Development

• COMSOL programming
• Impedance spectroscopy
• Oxygen transport modeling 
• Synthesis and characterization of redox materials  
• Thermochemical water-splitting reactions/reactors 
• Reaction kinetics  

Research Duties

• Perform basic calculations for oxygen diffusivity
• Use CFD software such as COMSOL to investigate oxygen transport
• Synthesize and characterize complex redox materials 
• Perform impedance spectroscopy at reaction conditions 
• Model impedance data and determine oxygen transport characteristics 

Impact of Research

Students involved in this research program will have hand-on experience in the areas of high temperature water-splitting process for hydrogen generation, impedance spectroscopy, oxygen transport and COMSOL modeling. Understanding of kinetics and oxygen transport modeling will lead to the development of improved thermally stabilized redox materials.  Results generated from the proposed research will be disseminated via publications in peer-reviewed journals and presentations at national and international conferences. 

Research Team

You will be working with both Dr. Rajesh Shende and Dr. Jan Puszynski 

Dr. Shende has expertise in synthesis of complex redox materials and modeling of oxygen transport in redox materials. This person will serve as the lead on the project.

Dr. Puszynski has experience in synthesis of redox materials via solution combustion synthesis.  They will provide experimental insight and support for the project.

For more details on this project, contact the lead investigator:

Rajesh Shende

Email: rajesh.shende@sdsmt.edu

Phone: 605-394-1231