A simulation study on the process design and optimization pressure swing separation of azeotropic mixture methanol and toluene

PLoS One. 2024 Dec 23;19(12):e0310541. doi: 10.1371/journal.pone.0310541. eCollection 2024.

Abstract

Pressure Swing Distillation (PSD) is the only advanced technology that does not require the addition of third components to the system to enhance the separation of azeotropic mixtures. It outperforms homogeneous distillation for separating pressure-sensitive azeotropic mixtures. In this study, we aimed to separate methanol and toluene using the Non-Random Two-Liquid (NRTL) and Aspen Plus thermodynamic calculation models to simulate a binary homogeneous azeotropic system. The standard PSD process was employed to separate methanol and toluene. Furthermore, multiple optimization sequences were utilized to sequentially optimize the process for obtaining higher purities of methanol and toluene while reducing the Total Annual Cost (TAC) and heat energy consumption. The effects of the optimization sequence on the TAC were investigated. The best optimization sequences for graphing in Origin or Aspen Plus were found to be RR1, NR, NF1, NF2, NT1, and NT2. Additionally, the Double-Effect Distillation (DED) optimization sequence is similar, with TAC as the primary function in the simulation and methanol and toluene purities up to 99.99%. In the DED simulation, the feed position and tray number were found to be sensitive to TAC by the order NR > NF1 > NF2 and NT1 > NT2. This study simulated PSD using the NRTL thermodynamic calculation model in Aspen Plus and generated visualizations using Origin software.

MeSH terms

  • Computer Simulation
  • Distillation / methods
  • Methanol* / chemistry
  • Pressure*
  • Thermodynamics
  • Toluene* / chemistry

Substances

  • Toluene
  • Methanol

Grants and funding

This research was funded by National Natural Science Foundation of China (project number: 52169027, and The National Natural Science Foundation of China (project number: 52069013). The start-up Funding for Research of Nanchang Institute of Science and Technology (NGRCZX-22-03). The funders had no roles in the study design, data collection and analysis, decision to publish, or preparation of the manuscript.