Modellierung reaktiver Stoffaustauschprozesse

Abstract

The design of reactive exchange processes is generally accomplished with the aid of the enhancement factor, whose calculation is frequently possible only by iterative and approximate methods. In contrast, a mathematical model linking microscopic reaction‐diffusion equations with macroscopic phase balances permits direct calculation of absorption. Complication reaction pathways and non‐linear phase equilibria can then also be considered without making simplifying assumptions. The influence of liquid phase viscosity on exchange parameters can be quantified and included in model calculations by coupling the more comprehensive film penetration theory and the theory of isotropic turbulence. Simulations not only demonstrate the influence of the system and operating parameters on absorption but also indicate the importance of the choice of excange model in systems with conversiondependent liquid phase viscosity.

Iterative Real-Time Optimization Scheme for Optimal Operation of Chemical Processes under Uncertainty: Proof of Concept in a Miniplant

“…To determine the molar fluxes J j that are needed in the bulk-phase material balances, different theories and methods are available including the stagnant two-film model with the film thickness δ as parameter, the penetration model in which a residence time θ is associated with the fluid element and the surface renewal model. − In this work, the two-film theory is used. It is assumed that a stagnant film is present near the interface, where film transport is governed essentially by molecular diffusion (depicted in Figure ).…”