Kinetic modeling of hydrogen generation over nano-Cu(s)/TiO2 catalyst through photoreforming of alcohols

Abstract

The production of hydrogen by photocatalytic reforming of methanol and glycerol was investigated using metal copper-modified TiO2 nanoparticles, prepared “in situ” by reduction of cupric ions. A modeling investigation was performed through the development of a simplified kinetic model taking into account the mass balance equations for the main reactive species involved in the photocatalytic system. The kinetic model was tested to predict hydrogen generation rates for experimental runs carried out at different initial concentrations of sacrificial agent (methanol and glycerol) and at varying photocatalyst load.The modeling investigation allowed to estimate for the first time the equilibrium adsorption constants and the kinetic constant for the hole-capture by sacrificial agents, as well as the quantum yield and the rate constant of electron-hole recombination for the copper modified-TiO2 nano-photocatalyst. This study provide a reliable approach to model photocatalytic reforming of alcohols over metal modified-TiO2 catalyst for hydrogen generation.