Towards a Novel Computer-Aided Optimization of Microreactors: Techno-Economic Evaluation of an Immobilized Enzyme System
<p>Reaction scheme of chiral reduction of NDK to the corresponding hydroxyketone (HK) and the diol using immobilized Gre2. The cofactor NADPH is regenerated during oxidation of glucose with glucose 1-dehydrogenase (GDH) [<a href="#B36-symmetry-13-00524" class="html-bibr">36</a>].</p> "> Figure 2
<p>Schematic of the reactor with height H and length L. Particles with a diameter <math display="inline"><semantics> <mrow> <msub> <mi>d</mi> <mi>p</mi> </msub> </mrow> </semantics></math> of 2.8 µm form a packed bed of fixed height <math display="inline"><semantics> <mrow> <msub> <mi>d</mi> <mrow> <mi>b</mi> <mi>e</mi> <mi>d</mi> </mrow> </msub> </mrow> </semantics></math> on the bottom of a flow channel, and are held inside the reactor with magnets below the flow channel plate.</p> "> Figure 3
<p>Multi-level reactor design (MLRD) levels according to Freund et al. [<a href="#B40-symmetry-13-00524" class="html-bibr">40</a>] and further adaptation to suit a multi-enzyme cascade reactor with mass transport limitations with a fixed channel length.</p> "> Figure 4
<p>Optimization parameters considered. Parameters specific for immobilized GDH (light grey) and aqueous GDH enzyme (dark grey).</p> "> Figure 5
<p>Concentration distribution for feed NDK, product HK and diol for the first 2 mm of the reactor. The lower part (brown) depicts the particle bed, and the volume above is the free volume with convective flow.</p> "> Figure 6
<p>Concentration profiles over the whole cross-section at the beginning of the reactor for the basic Matlab model (lines) and F2D model (dashes).</p> "> Figure 7
<p>Development of the cross-section averaged concentration in the free channel volume in flow direction for the basic Matlab model (lines) and F2D model (dashes).</p> "> Figure 8
<p>NADPH concentration in the reactor entrance region for aqueous GDH (<b>A</b>) and immobilized GDH (<b>B</b>).</p> "> Figure 9
<p>Results for MLRD case 1.1 (unlimited regeneration and mass transport), case 1.2 (with regeneration limitation) and case 1.3 (with mass transport limitation) for different amounts of beads. (<b>A</b>): Enzyme utilization (EU) <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mi>R</mi> </msub> </mrow> </semantics></math>. (<b>B</b>): Space time yield (STY) and productivity. (<b>C</b>): Cost. (<b>D</b>): TEP.</p> "> Figure 10
<p>Parameter evaluation of the results for (<b>A</b>) feed NADP/H concentration and (<b>B</b>) bead ratio for different amounts of beads ranging from 1 to 5.4 mg. For all bead amounts, a limiting curve was added to clarify the limits.</p> "> Figure 11
<p>Optimization of a microchannel enzymatic reactor system with an overflown particle bed and immobilized enzyme cascades. Results generated by a genetic algorithm with characterizing Pareto for different amounts of beads, indicated by grey dashed lines. An increase in TEP is depicted by symbols’ color, ranging from red (low TEP) to green (high TEP).</p> "> Figure 12
<p>Level 2 results from the genetic algorithm. Results of the optimal cases for different amounts of magnetic beads (MBs). (<b>A</b>): Conversion of NDK to HK and diol. (<b>B</b>): Enzyme utilization (EU) <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mi>R</mi> </msub> </mrow> </semantics></math>. (<b>C</b>): Cost with contributions of CapEx and OpEX. (<b>D</b>): TEP.</p> "> Figure 13
<p>TEP for different amounts of beads for an operating time (OT) ranging from 1 h to 3 weeks (<b>A</b>–<b>D</b>). TEP is scaled to the respective TEP of a reactor with aq. GDH and 4.5 mg beads and the corresponding OT. TEP maxima shift for higher amounts of beads and are reduced overall for increased OT.</p> "> Figure 14
<p>Evolution of performance (<b>A</b>), enzyme utilization (EU) <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mi>R</mi> </msub> </mrow> </semantics></math> (<b>B</b>), economics (<b>C</b>) and overall TEP (<b>D</b>) in relation to the base case with aqueous GDH (black), comparable immobilization (red) and optimized system parameters (blue).</p> ">
Abstract
:1. Introduction
2. Materials and Methods
2.1. Reactor System
2.2. Systematic Design Methodology
- Case 1.1—unlimited cofactor regeneration and mass transport
- Case 1.2—unlimited cofactor regeneration (mass transport limitation)
- Case 1.3—unlimited mass transport (cofactor regeneration limitation)
2.3. Optimization Methodology
2.3.1. Measure of Process Economics
2.3.2. Boundary Conditions
2.3.3. Techno-Economic Performance (TEP)
3. Results and Discussion
3.1. Reactor Model
3.2. GDH Immobilization
3.3. Level 1: Infinite Fluxes
3.4. Levels 2 and 3: (Technical) Reactor Concept
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Basic Model | Model F2D | Model F3D | |
---|---|---|---|
Length | 50 mm | 2 mm | 1 mm |
Number of cells | 35,000 | 0.75 million | 8 million |
Computing time | 4 min | 7 days | 7 days |
Deviation | ±3.5% | ±0.1% | reference |
STY | Flow Rate | Enzyme Utilization (EU) [-] | CapEx | OpEx | Cost | Productivity | TEP [-] | |
---|---|---|---|---|---|---|---|---|
GDH aq. | 96.25 | 0.47 | 0.74 | 85.83 | 0.025 | 20,330 | 155.9 | 1.00 |
GDH imm. | 96.26 | 0.47 | 0.89 | 59.56 | 0.009 | 15,091 | 263.5 | 2.28 |
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Pietrek, P.; Kraut, M.; Dittmeyer, R. Towards a Novel Computer-Aided Optimization of Microreactors: Techno-Economic Evaluation of an Immobilized Enzyme System. Symmetry 2021, 13, 524. https://doi.org/10.3390/sym13030524
Pietrek P, Kraut M, Dittmeyer R. Towards a Novel Computer-Aided Optimization of Microreactors: Techno-Economic Evaluation of an Immobilized Enzyme System. Symmetry. 2021; 13(3):524. https://doi.org/10.3390/sym13030524
Chicago/Turabian StylePietrek, Philip, Manfred Kraut, and Roland Dittmeyer. 2021. "Towards a Novel Computer-Aided Optimization of Microreactors: Techno-Economic Evaluation of an Immobilized Enzyme System" Symmetry 13, no. 3: 524. https://doi.org/10.3390/sym13030524