Advanced rate‐based simulation tool for reactive distillation

Abstract

A rigorous rate-based modeling approach to reactive distillation equipment is presented in detail. This approach has succeeded from the three-year project "Reactive

Rate-based modelling and simulation of distillation columns with sandwich packings

“…The simulation of distillation columns with the rate-based approach results in a large and highly non-linear algebraic equations [12]. In this work, the equations are implemented in the simulation software Aspen Custom Modeler 1 , an equation oriented simulator.…”

Complementary modelling of fluid separation processes

“…The case when the reaction mechanism should be taken into account in the film region is especially complex, since the component balance equations including simultaneous mass transfer and reaction in the film become non-linear (ordinary) differential equations of the second order which have to be solved in conjunction with all other model equations. This can be done either analytically, provided that some further assumptions with respect to the linearization of the diffusion and reaction terms are made (see Kenig, 2000;Kenig et al, 2000), or numerically (Noeres et al, 2003;Kenig et al, 2003Kenig et al, , 2004.…”

Model Development, Validation, and Optimization of an MEA-Based Post-Combustion CO2 Capture Process under Part-Load and Variable Capture Operations

“…Many research studies have focused on developing detailed process models of CO 2 capture plants, with emphasis on the absorber and stripper. ,, In addition to differences in the properties and reaction kinetic models in these studies, these models greatly differ in how mass transfer and heat transfer resistances are represented. While the nonequilibrium stage model − that considers spatial variation in mass transfer and heat transfer fluxes in the films along with chemical reactions − can be very accurate, these models can be computationally challenging for plant-wide optimization. Another approach that provides a compromise between computational tractability and accuracy is to model the mass transfer resistance in the gas and liquid films by considering a linear driving force between the interface of the films and bulk gas and liquid phases, respectively, where the mass transfer enhancement due to chemical reactions is captured by using an enhancement factor .…”