Shape optimization as a tool to design biocatalytic microreactors

Grundtvig, Ines Pereira Rosinha; Daugaard, Anders Egede; Woodley, John M.; Gernaey, Krist V.; Krühne, Ulrich

doi:10.1016/j.cej.2017.03.045

Cited by 13 publications

(10 citation statements)

References 24 publications

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“…We wish to emphasize the important interrelationship between STY , k cat , d h , and E imm in defining the performance of a wall‐coated enzyme microreactor. Although there are microreactor studies focusing on increase of E imm or reduction of d h , this aspect has not been addressed.…”

Section: Resultsmentioning

confidence: 99%

Demystifying the Flow: Biocatalytic Reaction Intensification in Microstructured Enzyme Reactors

2018

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Continuous (flow) reactors have drawn a wave of renewed interest in biocatalysis. Many studies find that the flow reactor offers enhanced conversion efficiency. What the reported reaction intensification actually consists in, however, often remains obscure. Here, a canonical microreactor design for heterogeneously catalyzed continuous biotransformations, featuring flow microchannels that contain the enzyme immobilized on their wall surface are examined. Glycosylations by sucrose phosphorylase are used to assess the potential for reaction intensification due to microscale effects. Key variables are identified, and their corresponding relationship equations, to describe, and optimize, the interplay between reaction characteristics, microchannel geometry and reactor operation. The maximum space-time-yield (STY_max) scales directly with the enzyme activity immobilized on the available wall surface. Timescale analysis, comparing the characteristic times of reaction (τ ) and diffusion (τ ) to the mean residence time (τ ), reveals operational conditions for optimum reactor output. Theoretical insight into determinants of microreactor performance is applied to biocatalytic syntheses of α-d-glucose 1-phosphate and α-glucosyl glycerol. Process boundaries for enzyme showing, respectively, high (80 U mg ) and low (4 U mg ) specific activities are thus established and options for process design revealed. Opportunities, and limitations, of the application of principles of microscale flow chemistry to biocatalytic transformations are made evident.

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Section: Resultsmentioning

confidence: 99%

Demystifying the Flow: Biocatalytic Reaction Intensification in Microstructured Enzyme Reactors

2018

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“…This CFD software solves numerically a large range of PDEs using the finite volume method. In our case, OpenFOAM solves the system of Navier-Stokes equations (1) combined with the mass balance equations (3), the adjoint system equations ( 16)-( 17)) and computes the mesh diffusion displacement through (22). The Python library named ''pyFoam '' is used in order to connect optimization iterations to each other using its utility ''pyFoamMeshUtilityRunner.py ''.…”

Section: Optimization Algorithmmentioning

confidence: 99%

“…The chemical engineering literature naturally contains multiple studies dedicated to problems of optimal design and shape optimization. Examples include [6,22,28]. However, the approach used does not generally allow to explore all possible forms and often comes down to a problem of optimizing a small number of parameters.…”

Section: Introductionmentioning

confidence: 99%

Shape Optimization of Fixed-Bed Reactors in Process Engineering

Courtais¹,

Latifi²,

Lesage³

et al. 2021

SIAM J. Appl. Math.

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This paper deals with geometric shape optimization of a parallelepipedic fixed-bed reactor with single phase liquid flow where a chemical reaction takes place. The packing is a sort of static mixer made up of solid cylindrical obstacles uniformly distributed in the reactor. The reactive flow is described by means of momentum and mass transport equations in laminar flow regime. The objective is to determine the shape of the packing which maximizes the reaction conversion rate subjected to some specified manufacturing constraints. The optimization approach developed is based on the adjoint system method and the results show that the optimal shape obtained allows to significantly improve the reaction conversion rate. Furthermore, the optimal shape is printed by means of an additive manufacturing technique and several manufacturing constraints mainly related to the thickness of packing are considered.

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“…Also, a higher number of fabricated microfluidic devices are currently being studied by means of mathematical and numerical tools, such as Matlab ® (Schäpper et al, 2011) and computational fluid dynamics (CFD) (Rosinha Grundtvig et al, 2017), with the aim of reducing development time. These software tools have contributed to a considerable progress in recent years in accommodating the faced challenges when modelling at this scale.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

“…This can be achieved, namely, by aiding in geometry optimization, evaluation of transport phenomena, determination and prediction of reaction (kinetic) parameters and mechanisms, and in analyzing experimental data (Ungerböck et al, 2013). Modelling provides a more targeted and therefore often more efficient strategy of device development and sensor design, which can result in faster, less wasteful, and more economical device development processes (Rosinha Grundtvig et al, 2017), (Gärtner, 2017). It also provides information for evaluation and choice of materials (either by modeling interaction between materials, absorption of molecules on the surface or elucidating the influence of properties such as, for example, thermal coefficients).…”

Section: Accepted Manuscriptmentioning

confidence: 99%

“Connecting worlds – a view on microfluidics for a wider application”

Fernandes

Gernaey

Krühne

2018

Biotechnology Advances

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From its birth, microfluidics has been referenced as a revolutionary technology and the solution to long standing technological and sociological issues, such as detection of dilute compounds and personalized healthcare. Microfluidics has for example been envisioned as: (1) being capable of miniaturizing industrial production plants, thereby increasing their automation and operational safety at low cost; (2) being able to identify rare diseases by running bioanalytics directly on the patient's skin; (3) allowing health diagnostics in point-of-care sites through cheap lab-on-a-chip devices. However, the current state of microfluidics, although technologically advanced, has so far failed to reach the originally promised widespread use. In this paper, some of the aspects are identified and discussed that have prevented microfluidics from reaching its full potential, especially in the chemical engineering and biotechnology fields, focusing mainly on the specialization on a single target of most microfluidic devices and offering a perspective on the alternate, multi-use, "plug and play" approach. Increasing the flexibility of microfluidic platforms, by increasing their compatibility with different substrates, reactions and operation conditions, and other microfluidic systems is indeed of surmount importance and current academic and industrial approaches to modular microfluidics are presented. Furthermore, two views on the commercialization of plug-and-play microfluidics systems, leading towards improved acceptance and more widespread use, are introduced. A brief review of the main materials and fabrication strategies used in these fields, is also presented. Finally, a step-wise guide towards the development of microfluidic systems is introduced with special focus on the integration of sensors in microfluidics. The proposed guidelines are then applied for the development of two different example platforms, and to three examples taken from literature. With this work, we aim to provide an interesting perspective on the field of microfluidics when applied to chemical engineering and biotechnology studies, as well as to contribute with potential solutions to some of its current challenges.

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Shape optimization as a tool to design biocatalytic microreactors

Cited by 13 publications

References 24 publications

Demystifying the Flow: Biocatalytic Reaction Intensification in Microstructured Enzyme Reactors

Demystifying the Flow: Biocatalytic Reaction Intensification in Microstructured Enzyme Reactors

Shape Optimization of Fixed-Bed Reactors in Process Engineering

“Connecting worlds – a view on microfluidics for a wider application”

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