Dehydration of 2,3-Butanediol to 1,3-Butadiene and Methyl Ethyl Ketone: Modeling, Numerical Analysis and Validation Using Pilot-Scale Reactor Data

Abstract

This work presents the numerical analysis and validation of a fixed bed reactor model for 2,3-butanediol (2,3-BDO) dehydration. The 1D heterogeneous reactor model considering interfacial and intra-particle gradients, was simulated and numerical analysis of the model was conducted to understand the characteristics of the reactions in a catalyst along the reactor length. The model was also validated by comparing predicted performance data with pilot-scale plant data operated at 0.2 bar, 299–343 °C and 0.48–2.02 h−1 of weight hourly space velocity (WHSV). The model showed good agreement with the temperature profile, 2,3-BDO conversion and selectivity of target products. In addition, sensitivity analyses of the model were investigated by changing feed flow rate, feed composition, and inlet temperature. It was found that stable and efficient operation conditions are lower than 0.65 h−1 of WHSV and 330–340 °C of inlet temperature. Additionally, the reactor performance was not affected by 2,3-BDO feed concentration above 70%.