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%.

Highlights

  • Przemysław Jodłowski andThe finite source of fossil fuel has inspired aggressive research efforts on alternative energy sources such as renewable biomass [1]

  • The valorization of 2,3-BDO is widely applied as a fuel additive, and in the food and pharmaceutical industries [4]. 2,3-BDO is best utilized in its dehydrated form: 1,3-butadiene (1,3-BD) and methyl ethyl ketone (MEK)

  • The 1D heterogeneous reactor model was used, which took into consideration interfacial and intra-particle gradients

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Summary

Introduction

The finite source of fossil fuel has inspired aggressive research efforts on alternative energy sources such as renewable biomass [1]. Dehydration of 2,3-BDO to 1,3-BD and MEK mainly involves three aspects: catalyst development, kinetic model, and reactor design. 2,3-BDO dehydration performance with silica-supported alkali phosphate catalyst based on the production of both 1,3-BD and MEK [17]. The model did not show sensitivity analysis data of major operating variables and report the optimal condition for the reactor. Numerical analysis of the reactor model was conducted to understand the characteristics of the reactions over the CP catalyst and along the reactor length. The model was validated with adiabatic fixed-bed reactor experiments in a variety of performance parameters such as temperature profile, 2,3-BDO conversion rate, and selectivity of the main products at the outlet of the reactor. The findings of this study are expected to provide valuable insights in the development of commercial-scale reactor design

Pilot-Scale Experiment
H8 O r2
The Reactor Model
Numerical Analysis
Validation of the Reactor Model
Temperature Profile
BDO Conversion and Major Components Selectivity
Effect of WHSV
Effect of Inlet Temperature
Effect of Feed Composition
Findings
Conclusions
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