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CFD modelling of the continously operated microextraction of proteins – a shortcut to new microextractor designes

Aqueous Two-Phase Systems (ATPSs) have attracted much attention due to their ability to separate and purify various biological molecules with high yield and purity. ATPS can be used for separation and purification depending on their composition. ATPSa are mostly polymer-polymer or polymer-salt systems, but recently Deep Eutectic Solvents (DESs) have also been used for ATPS separations because they are more sustainable and cost- effective as solvents than polymers. To develop an efficient extraction process, the geometry of the extractor and the operating conditions should be optimized in addition to the composition of the extraction solvent. Due to the high surface-to- volume ratio, higher heat and mass transfer rates, and short diffusion path, continuously operated microextractors are widely used to improve mass transfer between two phases. In this work, ATPS composed of K2HPO4 and betaine:urea DES for lipase purification and ATPS composed of K2HPO4 and choline chloride:poly(ethylene glycol):zinc chloride DES for laccase purification in continuously operated microextractors were analyzed using Computational Fluid Dynamics (CFD). CFD simulations were performed to illustrate and visualize the interactions between two phases during extraction. The CFD simulations of the ATPS flow profiles in the microextractor were performed using COMSOL Multyphysics v.4.2 finite element software. A laminar flow model with Lagrangian specification of the field and Ditrich- type boundary conditions were used. CFD simulations were performed by estimating the fluid properties assuming simple mass balances. The results can be used to determine the position of the enzyme separation in the microchannel. Based on the obtained results, new microextractor configurations can be proposed that would enhance extraction efficiency.

protein extraction ; aqueous two-phase systems (ATPS) ; microextractor ; CFD

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