General Kinetic Modeling of the Selective Hydrogenation of 2-Methyl-3-butyn-2-ol over a Commercial Palladium-Based Catalyst

Abstract

A general kinetic model has been developed to simulate the three-phase solvent-free hydrogenation of 2-methyl-3-butyn-2-ol (MBY) over a commercial palladium-based catalyst. A Langmuir–Hinshelwood mechanism with noncompetitive adsorption between hydrogen and the organic species is assumed. Gas–liquid mass-transfer resistance is included in the model. Experiments were carried out in a stirred slurry reactor to estimate the kinetic parameters. The proposed model is able to predict the concentration profiles of the species involved during MBY hydrogenation, at varying temperatures (313–353 K), pressures (3.0–10.0 bar), and catalyst loadings (0.075–0.175 wt %). The model predictions were successfully validated using additional experimental runs conducted under different operating conditions and at a lower initial concentration of MBY.