Calculations of the glycerol dehydration process in the presence of protonated mordenite are conducted
by the density functional theory method at the B3LYP/6-311G level taking into account noncovalent
interactions. Both reactions studied—dehydration to acrolein and to acetol—are endothermic (27.3 and
11.7 kcal/mol, respectively). It is shown that for mordenite, unlike ZSM-5, the acetol formation pathway is
preferable.