Investigation of the mechanism of acidic hydrolysis of cellulose

Abstract

 The mechanism of an acidic hydrolysis of cellulose is investigated by means of the PM3 molecular-orbital method. The investigation is performed on a sample consisting of 8 monomeric glucose units. The activation energies for the reactions of attacks of hydronium ions on glycosidic bonds in different positions are determined. It is found, on the basis of these energies, that hydrolysis is not favoured in any of the examined positions, i.e. an attack of hydronium ion on all etheric hydrogens is possible with similar probability. This is in agreement with experimental data.