Abstract
Immobilized multi-enzyme cascades are increasingly used in microfluidic devices. In particular, their application in continuous flow reactors shows great potential, utilizing the benefits of reusability and control of the reaction conditions. However, capitalizing on this potential is challenging and requires detailed knowledge of the investigated system. Here, we show the application of computational methods for optimization with multi-level reactor design (MLRD) methodology based on the underlying physical and chemical processes. We optimize a stereoselective reduction of a diketone catalyzed by ketoreductase (Gre2) and Nicotinamidadenindinukleotidphosphat (NADPH) cofactor regeneration with glucose dehydrogenase (GDH). Both enzymes are separately immobilized on magnetic beads forming a packed bed within the microreactor. We derive optimal reactor feed concentrations and enzyme ratios for enhanced performance and a basic economic model in order to maximize the techno-economic performance (TEP) for the first reduction of 5-nitrononane-2,8-dione.
Highlights
The application of miniaturized continuous reactors has increased rapidly over the past few decades
We demonstrate the capability of mathematical modeling, the knowledge the models can provide, and how both can be utilized to optimize a microfluidic reactor system for space time yield (STY), specific productivity and techno-economic performance (TEP)
Translating the basic 1D Matlab model briefly explained in Section 2.1 into two and three-dimensional computational fluid dynamics (CFD) models in ANSYS Fluent enables more detailed results on the concentration patterns in the liquid volume above the packed bed
Summary
The application of miniaturized continuous reactors has increased rapidly over the past few decades. Flow reactors [3], and especially micro flow reactors, benefit from increased control of reaction conditions, enhanced mass transport, increased safety, the possibility of automation and easier scaleup [3,4,5,6], as compared to batch reactors They enable sustainable and green processes, due to potential recycling of substrates and less chemical waste [7]. In order to create a more cost-efficient process, additional reactions are utilized to regenerate the cofactor [10] This is done in close proximity, e.g., in the same reactor compartment, provided the required reaction conditions such as temperature and pH value for both enzymatic reactions are similar. We extend this list with an investigation of an overflown packed bed reactor with micrometer-scale particles
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