Modeling and Simulation of Reactive Distillation Operations

TLDR

Reactive distillation processes are system specific and sensitive to model parameters. The paper presents key aspects of modeling and simulation of reactive distillation processes and stresses that a systematic analysis of model parameters and design variables is essential for reliable simulation and design. The influence of sensitive model parameters on simulation and design is highlighted through a systematic analysis of the models used for steady‑state and dynamic simulations of reactive distillation operations. The study identifies equilibrium model parameters as the most sensitive and presents validated numerical results from two reactive system test problems.

Abstract

Important aspects related to modeling and simulation of reactive distillation processes are presented. Reactive distillation processes are system specific and are subject to the sensitivity of the model parameters. The sensitive model parameters have been identified as those belonging to the models describing the physical and/or chemical equilibrium of the reactive system. The influence of the sensitive model parameters on simulation/design is highlighted through a systematic analysis of the models typically employed for steady-state and dynamic simulations of reactive distillation operations. For reliable and consistent simulation and design of reactive distillation operations, a necessary first step is a systematic analysis of the model parameters and the design/operational variables. Validated numerical results from test problems involving two reactive systems are presented.