Kinetic Model Development for Dehydration of 2,3-Butanediol to 1,3-Butadiene and Methyl Ethyl Ketone over an Amorphous Calcium Phosphate Catalyst

Abstract

A reaction network and kinetic model for the dehydration of 2,3-butanediol (2,3-BDO) to 1,3-butadiene (1,3-BD) and methyl ethyl ketone (MEK) on an amorphous calcium phosphate catalyst are proposed. The kinetic parameters of the model were estimated using experimental data obtained from a laboratory-scale fixed-bed reactor operated under isothermal conditions. Experiments were performed using a mixture of 2,3-BDO, 3-buten-2-ol (3B2OL), and N2 as feed, at temperatures ranging from 304 to 334.5 °C and gas hourly space velocity (GHSV) ranging from 1780 to 2222 h–1. 2,3-BDO conversion varied from 6 to 100%; the selectivity of 1,3-BD ranged from 5 to 33 wt %, and the selectivity of MEK ranged from 31 to 34 wt %. Kinetic models based on the simple power law and Langmuir–Hinshelwood–Hougen–Watson model were developed to describe the dehydration of 2,3-BDO to 1,3-BD and MEK. Statistical and physicochemical criteria are used to contrast the performance of the two kinetic approaches. The power law model showed the h...