Liquid phase catalysis

Here at OU, we are interested in catalytic upgrading of Bio-oil, with an emphasis on solvent effect on the reaction activity and selectivity. Bio-oil is generated through fast pyrolysis of biomass, and its upgrading to liquid fuel is an attractive process with significant economic potential particularly in the context of distributed chemical manufacturing (see our recent commentary in Nature Catalysis 2018). We are working closely with Drs. Daniel Resasco and Steven Crossley. 

We perform DFT calculations to study model compounds, such as furfural, γ-Valerolactone and their derivatives. The calculated molecular adsorption and reaction on various metal surfaces can be compared directly with reaction kinetics. One recent example is our work on C-C coupling between biomass-derived furanics and acetic acid (Science Advances 2016).

The solvent, depending on its detailed chemical properties, may affect both the adsorption and reaction, serving as an important way to achieve improved reaction activity and selectivity. We showed recently that the water can not only enhance the reaction activity but also significantly change the reaction selectivity (Nature Catalysis 2019).

In addition, water also plays a key role in aldol condensation by changing the rate-determining step and reaction order through a remote polarization mechanism. (ACS Catalysis 2019, Journal of Catalysis 2019, ACS Catalysis 2018, and many others).

This work was initially supported by the U.S. Department of Energy, initiated through a DOE/EPSCOR grant (Grant DE-SC0004600). More information can be found here. Over the past 3 years, the focus of the research is switched to bio-inspired nanoreactors, supported through a BES Catalysis grant (Grant DE-SC0018284). A few students have been trained in this grant and graduated in the past years: Michael Zeets (Master); Reda Bababrik (PhD); Zheng Zhao (PhD)