<p>Production of butylic ether using a simple batch reactive distillation (RD) process is described, with emphasis on the effects of mass transfer and chemical kinetics. Changes in the Damköhler number and transitions in the lightest and heaviest boiling components, azeotropes, and distillation boundaries are well-documented in the literature. However, changes in operational parameters are not well-studied due to the complexity of models that account for the interaction between mass transfer and chemical reactions. In this work, an irreversible model was used, as this rigorous nonlinear modeling better describes the design and operational issues of reactive distillation processes compared to thermodynamic equilibrium models. Different azeotropes and distillation boundaries can appear based on the values of operational parameters (interfacial area and vapor withdrawal flow rate) and the Damköhler number, leading to the disappearance or emergence of distillation regions. These transitions correspond to bifurcations in the reactive residue curve map (RRCM). The system was modeled using differential–algebraic equations (DAE) and solved with the Runge–Kutta method for stiffness problems, with bifurcation analysis obtained through the continuation method. The production of methyl tert-butyl ether (MTBE) from a non-ideal mixture of isobutene/methanol/MTBE in a simple batch RD process illustrates how the bifurcation method captures essential mass transfer effects, in addition to kinetic effects, in reactive distillation. The critical interfacial area, vapor withdrawal flow rate, and Damköhler number for the appearance of azeotropes and distillation boundaries were determined. Finally, a sensitivity analysis was used to evaluate the key operational variables. The methodology based on bifurcation analysis applicable for the design and evaluation of batch RD columns.</p>

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Bifurcation study of mass transfer effects in nonequilibrium simple batch reactive distillation

  • G. A. Silva,
  • J. C. Teixeira,
  • L. Stragevitch,
  • J. M. F. Silva

摘要

Production of butylic ether using a simple batch reactive distillation (RD) process is described, with emphasis on the effects of mass transfer and chemical kinetics. Changes in the Damköhler number and transitions in the lightest and heaviest boiling components, azeotropes, and distillation boundaries are well-documented in the literature. However, changes in operational parameters are not well-studied due to the complexity of models that account for the interaction between mass transfer and chemical reactions. In this work, an irreversible model was used, as this rigorous nonlinear modeling better describes the design and operational issues of reactive distillation processes compared to thermodynamic equilibrium models. Different azeotropes and distillation boundaries can appear based on the values of operational parameters (interfacial area and vapor withdrawal flow rate) and the Damköhler number, leading to the disappearance or emergence of distillation regions. These transitions correspond to bifurcations in the reactive residue curve map (RRCM). The system was modeled using differential–algebraic equations (DAE) and solved with the Runge–Kutta method for stiffness problems, with bifurcation analysis obtained through the continuation method. The production of methyl tert-butyl ether (MTBE) from a non-ideal mixture of isobutene/methanol/MTBE in a simple batch RD process illustrates how the bifurcation method captures essential mass transfer effects, in addition to kinetic effects, in reactive distillation. The critical interfacial area, vapor withdrawal flow rate, and Damköhler number for the appearance of azeotropes and distillation boundaries were determined. Finally, a sensitivity analysis was used to evaluate the key operational variables. The methodology based on bifurcation analysis applicable for the design and evaluation of batch RD columns.