Affiliation:
1. Department of Applied Chemistry Zhejiang University of Technology Hangzhou 310014 P. R. China
2. Research Institute of Zhejiang University of Technology-Taizhou Taizhou 318000 P. R. China
3. Petroleum and Chemical Industry Key Laboratory of Organic Electrochemical Synthesis State Key Laboratory Breeding Base of Green Chemistry Synthesis Technology Zhejiang University of Technology Hangzhou 310014 P. R. China
Abstract
Abstract2,5‐bis(hydroxymethyl)furan (BHMF) derived from 5‐Hydroxymethylfurfural (HMF) through a hydrogenation process has extensive applications in the production of resins, polymers, and artificial fibers. However, screening out the candidate and then modulating the active site to optimize the catalyst for high yield of BHMF are currently insufficient. In this study, Gibbs free energy diagrams of the reduction of HMF on 13 metals were presented, along with the identification of the rate‐determining step (RDS) with the highest reaction barrier for each metal. We attempted to construct a volcano plot for HMFRR reaction. Additionally, a strategy was proposed to adjust the reaction barriers of RDS by combining two appropriate metals. Further experiments confirmed that Pb with the lowest energy barrier exhibited the highest HMF conversion (BHMF selectivity) among single metals. The modified catalyst by doping Ag on Pb, further boosted the HMF conversion (BHMF selectivity) from 42.1 % (59.4 %) to 80.8 % (80.9 %), respectively. These results provide an approach to rationally design and construct the catalyst system for efficient conversion of HMF.
Funder
Key Research and Development Program of Zhejiang Province
Natural Science Foundation of Zhejiang Province
National Natural Science Foundation of China