Effects of chloride ions in acid-catalyzed biomass dehydration reactions in polar aprotic solvents.

ABSTRACT: The use of polar aprotic solvents in acid-catalyzed biomass conversion reactions can lead to improved reaction rates and selectivities. We show that further increases in catalyst performance in polar aprotic solvents can be achieved through the addition of inorganic salts, specifically chlorides. Reaction kinetics studies of the Brønsted acid-catalyzed dehydration of fructose to hydroxymethylfurfural (HMF) show that the use of catalytic concentrations of chloride salts leads to a 10-fold increase in reactivity. Furthermore, increased HMF yields can be achieved using polar aprotic solvents mixed with chlorides. Ab initio molecular dynamics simulations (AIMD) show that highly localized negative charge on Cl^- allows the chloride anion to more readily approach and stabilize the oxoc

SUBMITTER: Mellmer MA 

PROVIDER: S-EPMC6408490 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature