Pilot-scale validation of Enzymatic Reactive Distillation for butyl butyrate production

Abstract

Highlights• Butyl butyrate synthesis by Enzymatic Reactive Distillation is possible• Established rate-based model to describe Enzymatic Reactive Distillation • First time validation for an Enzymatic Reactive Distillation process model AbstractFor enzyme-catalyzed reactions, batch processes using stirred tank reactors are the state-ofthe-art production mode. The yield of the process may be limited by reaction equilibrium, product inhibition of the enzyme, low concentrations and possibly low reaction rates, while the recovery of the product may be limited due to thermodynamic constraints such as azeotropes. Using enzymes in an integrated reactive distillation process can overcome these limitations and provides a cost advantage over classic batch reactor processes.The aim of this paper is i) to report the successful pilot-scale experimental validation of an Enzymatic Reactive Distillation (ERD) process for the synthesis of butyl butyrate and ii) to Pilot-Scale Validation of Enzymatic Reactive Distillation for Butyl Butyrate ProductionWierschem et al.2 establish a rate-based model for conceptual process design which can be quickly adapted to other systems.The main novelty is the application of a continuous RD column with enzymes as a heterogeneous catalyst provided in two different types of catalytic packing: loosely filled immobilized enzyme beads in standard packings with catalyst pockets and gauze packings with catalytic coating.Experimental pilot-scale experiments show the feasibility of ERD and allow the comparison of the different packing types based on catalytic performance as well as stability.Furthermore, these experiments are used to validate a predictive rate-based model to describe ERD which can be used to check the sensitivity of process and design parameters as well as to provide a quick adaption to other systems for quick evaluation.

Ultrasound‐assisted emerging technologies for chemical processes

“…Because of the strong integration of the different kinetic phenomena a rate‐based model is required, building on the MERSHQ equations (mass and energy balances, rate expressions, summation constraints, hydraulic equations and interfacial eQuilibrium conditions), in combination with accurate physical property data and correlations describing the hydrodynamics and mass transfer kinetics for the applied equipment. A similar model for the transesterification reaction and the experimental data was developed in the Aspen Custom Modeler ® environment and validated against the experimental data by Wierschem et al …”

Model validation for enzymatic reactive distillation to produce chiral compounds

“…For the experimental investigation of the ERD with the present chemical system a pilot‐scale distillation column from the Laboratory of Fluid Separations, TU Dortmund University, was used. A thorough description of the distillation column and the complete experimental set‐up can be found in Wierschem et al ., Holtbruegge et al . and Keller et al .…”

“…The start‐up and shut‐down procedure match those described by Wierschem et al . and the interested reader is referred to this article for further information.…”

“…Modeling of the ERD process is accomplished within Aspen Custom Modeler ® building upon a recently developed rate‐based simulation model . This model considers the so‐called MERSHQ approach, which includes material and energy balances, rate equations, summation and hydraulic equations and interface eQuilibrium conditions .…”

“…Therefore, one aspect of green PI is the combination of biocatalytic/enzymatic reaction and simultaneous separation to shift the chemical reaction equilibrium to the side of the reaction product. This interesting concept of biocatalytic in situ separation was recently demonstrated successfully by enzymatic reactive distillation (ERD) …”