Gas-phase Hydroisomerization of n-Hexane Over Pt/SO₄-ZrO₂: Kinetic Modeling and Reactor Simulation

Abstract

Kinetic parameters of a simplified power law model for the gas-phase hydroisomerization of n-hexane over a proprietary Pt/SO₄-ZrO₂ catalyst were identified through a least squares minimization procedure. The model was based on the bifunctional mechanism of hydrocarbon isomerization. Experimental data were taken from the literature over a temperature range of 150–170°C, at a total pressure of 20 bar and with a H₂/hydrocarbon ratio of 2:1. Predicted product yields compared favorably with the experimental data for the isomers 2-methylpentane, 3-methylpentane, 2,2-dimethylbutane, and 2,3-dimethylbutane.

Keywords:

• gas-phase
• hydroisomerization
• n-hexane
• kinetics
• sulfated zirconia