Hydrogen generation by gasification of phenol and alcohols in supercritical water

Abstract The conversion of phenol, cyclohexanol (a hydrogenated analog of phenol for comparison with phenol), and ethanol into gas products in supercritical water (SCW) was studied with the goal to compare the reactivity of their aqueous solutions with the structural features obtained by the method of classical molecular dynamics. Transformation of phenol and alcohols occurs in different ways. In the case of alcohols, the conversion of 75–100% is achieved at 600 °C with noticeable gasification. At the same time, the conversion of phenol is only 47% and no gas products are formed at all. The complete conversion of phenol is achieved at a temperature of 750 °C, while the degree of gasification does not exceed 30%. It is shown that an increase in the phenol gasification degree is possible by pre-catalytic hydrogenation of phenol into cyclohexanol.