Molecular insight in the rate-enhancing effect of water and silanols in amine catalyzed aldol reaction

(29-03-2021)
First principles kinetics in liquid phase explain how the presence of water can increase catalyst activity by promoting proton transfers and preventing deactivation, and how a bifunctional catalyst with isolated silanol groups adjactent to the grafted amine active sites have a similar effect. These findings improve the production of iquid fuels from lignocellulosic biomass, which can contribute to the conversion to renewable energy sources.
More information can be found on https://doi.org/10.1016/j.cej.2020.127070 .