MoO3-catalyzed transformation of corn stalk cellulose to glycolic acid: an experimental and DFT study

In this paper, a green approach is developed for the effective conversion of corn stalk cellulose to glycolic acid with MoO3. The effect of different factors (amount of MoO3, reaction temperature, reaction time and the concentration of cellulose) were studied on conversion of cellulose. The total organic acids (glycolic acid, formic acid and lactic acid) yield of 48.2% with 93% conversion was obtained from cellulose at the optimal conditions (0.04 mol MoO3, 2 wt% cellulose concentration, 210 degrees C, 60 min), and the maximum yield of glycolic acid was 23.4%. Furthermore, the mechanism of MoO3-catalyzed epimerization of glucose to mannose was investigated by performing density functional theory calculations. The results indicated that the coordination between MoO3 and the O1 sites of glucose was optimal, and MoO3 significantly reduces the overall reaction barrier for glucose epimerization, which is the main reason why MoO3 can promote the conversion of cellulose to glycolic acid.

Automated summary

In this study, a green approach using MoO3 was developed for the efficient conversion of corn stalk cellulose to glycolic acid. The factors affecting the conversion of cellulose were investigated, and the optimal conditions were determined. The mechanism of MoO3-catalyzed epimerization of glucose to mannose was also explored, revealing the role of MoO3 in reducing the reaction barrier for glucose epimerization and promoting cellulose conversion to glycolic acid.