Evaluation of the Enzymatic Reactive Distillation for the Production of Chiral Compounds

Wierschem, Matthias; Boll, Stefan; Lutze, Philip; Górak, Andrzej

doi:10.1002/cite.201500109

Cited by 18 publications

(30 citation statements)

References 33 publications

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“…The current study presents the development and validation of an accurate model for the production of a chiral chemical system in an ERD process. The investigated chemical system is in accordance with our previous study, important for the production of chiral building blocks and presented in Fig. .…”

Section: Introductionsupporting

confidence: 64%

“…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) …”

Section: Introductionmentioning

confidence: 99%

“…This promising technology offers a new option for the sustainable and efficient production of enantiomerically pure components. To increase the reliability of the process, the feasibility and accurate modeling of the ERD process need to be demonstrated including an evaluation of the ERD performance for industrial use . The crucial steps towards evaluation have been described by Wierschem et al .…”

Section: Introductionmentioning

confidence: 99%

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Model validation for enzymatic reactive distillation to produce chiral compounds

Wierschem

Langen

Lins

et al. 2017

J of Chemical Tech & Biotech

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BACKGROUND Enzymatic reactive distillation (ERD) is a biocatalyzed process, in which enzymes are immobilized in catalytic packing. The combination of enzymatic reaction and thermal separation helps to overcome chemical reaction and phase equilibrium limitations. Processing of chiral molecules, in particular, can benefit from ERD application, which might lead to more eco‐efficient processing of these valuable chemicals. Therefore an integrated approach to evaluate this technology is followed. RESULTS To evaluate ERD the transesterification of racemic (R/S)‐1‐phenylethanol (RPE/SPE) to (R)‐phenylethyl acetate (PEA) catalyzed by Candida antarctica lipase B (EC: 3.1.1.3) is investigated with regard to kinetics and physical property data, which provide a basis for the modeling of an ERD process. Furthermore, ERD experiments show a selective conversion of RPE to PEA, which is predicted by the established ERD model with high accuracy. CONCLUSION The ERD experiments demonstrate the feasibility of chiral processing for the transesterification by means of ERD and a validated ERD model is developed, allowing for a conceptual evaluation of ERD. This provides the basis for a future comparison of ERD with benchmark processes that will reveal the economic potential of ERD processes. © 2017 Society of Chemical Industry

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Section: Introductionsupporting

confidence: 64%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Model validation for enzymatic reactive distillation to produce chiral compounds

Wierschem

Langen

Lins

et al. 2017

J of Chemical Tech & Biotech

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“…To fill this gap, we propose to establish such a model on a fundamental basis of experiments as described in a recent publication [19]. The steps to an evaluation of this technology are: 1) collection of fundamental data (and experiments), 2) identification of an operating window, 3) development of a mathematical model, 4) model-based process analysis, 5) equipment-based experiments, 6) model validation and 7) optimization of the process.…”

Section: Problem Statementmentioning

confidence: 99%

“…In recent studies the model was successfully used to accurately predict or reproduce experimental operating points for the synthesis of dimethyl carbonate and propylene glycol [10], for n-propyl propionate synthesis [11] and for n-butyl acrylate production [26]. A first modeling study on the ERD for a chiral chemical system was recently published [19]. In general, the model describes a distillation column including the reboiler, condenser, column sections and the liquid distributors.…”

Section: Model Descriptionmentioning

confidence: 99%

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

Wierschem

Schlimper

Heils

et al. 2017

Chemical Engineering Journal

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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.

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Enzymatic catalyzed reactive dividing wall column: Experiments and model validation

Egger

Fieg

2016

AIChE Journal

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A novel process for the integration of chemical reaction and product separation is proposed: the enzymatic catalyzed reactive dividing wall column (eRDWC). The eRDWC combines the highly integrated and complex reactive dividing wall column (RDWC) with the use of a very selective enzymatic catalyst. This apparatus enables the simultaneous production and separation of up to 4 pure product streams. Comprehensive experiments with the reference system of a hexanol and butyl acetate transesterification in a DN 65 pilot scale column show the feasibility of stable steady state operations for this process. A rigorous model for the plant design of an eRDWC wall column is developed. The reaction kinetics and vapor‐liquid‐equilibria for the reference system are measured and implemented in the model. The model is successfully validated using the acquired experimental data. The application of enzymes in continuous reactive distillation processes has the potential to increase the selectivity at milder process conditions. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2198–2211, 2017

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Evaluation of the Enzymatic Reactive Distillation for the Production of Chiral Compounds

Cited by 18 publications

References 33 publications

Model validation for enzymatic reactive distillation to produce chiral compounds

Model validation for enzymatic reactive distillation to produce chiral compounds

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

Enzymatic catalyzed reactive dividing wall column: Experiments and model validation

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