Modeling and Simulation of Enzymatic Biofuel Cells with Three-Dimensional Microelectrodes
Abstract
:1. Introduction
2. Mechanism of EBFCs
- Anode:
- Cathode:
3. Simulation Modeling
Boundary | Diffusion | Potential |
---|---|---|
Top boundary of bulk domain | ||
Bulk-enzyme interface | ||
Enzyme-electrode interface | ||
Side and bottom boundaries of bulk domain |
Constant | Ref. Value | Reference |
---|---|---|
R | 8.314 J·mol·K−1 | - |
T | 300 K | - |
F | 96,485 C·mol−1 | - |
Dglucose | 7 × 10−10 m2·s−1 | [42,43,44] |
Doxygen | 1.74 × 10−9 m2·s−1 | [45,46] |
KM_GDH | 17.4 mM | [47] |
KM_laccase | 133.4 mM | [48] |
kcat_GDH | 360 s−1 | [47] |
kcat_laccase | 117 s−1 | [48] |
ø oA | −0.32 V | [49] |
ø oC | 0.585 V | [49] |
σcarbon | 8000 S·m−1 | [50] |
σsubstrate | 4 S·m−1 | - |
- (1)
- 2-D simulation is used to simplify the 3-D microelectrode design.
- (2)
- The DET between enzyme and electrode is assumed.
- (3)
- The enzyme kinetics constant is obtained from the literatures based on immobilized enzymes.
- (4)
- The enzyme is uniformly distributed in the enzyme layer.
- (5)
- Negligible change in heat transfer is assumed between enzyme layer and electrode interface.
- (6)
- Temperature distribution around the EBFCs is assumed to be uniform.
4. Results and Discussions
4.1. The Steady State Response
4.2. Impact of Mass Transport and Reaction Rate
4.3. The Cell Performance of EBFCs
4.4. Geometry of the Electrodes
Geometry | Side Edges | Top Edge | Corners | |||
---|---|---|---|---|---|---|
Property | CD (μA·cm−2) | RH (μW·cm−3) | CD (μA·cm−2) | RH (μW·cm−3) | CD (μA·cm−2) | RH (μW·cm−3) |
Rectangular | 170 | 4 | 100 | 1.5 | 410 | 23 |
Triangular | 90–225 | 1–8 | - | - | 270(top) 230(bottom) | 12(top) 7(bottom) |
Tapered | 130–210 | 2.5–5 | 125–135 | 1–3 | 250 | 8.5 |
Semi-elliptical | 45–90 | 0.05–0.17 | - | - | 105(top) 47(bottom) | 0.27(top) 0.05(bottom) |
5. Conclusions
Author Contributions
Nomenclature
[i] | concentration of component i (mol·m−3) |
c | concentration |
D | diffusion coefficient (m2·s−1) |
F | Faraday’s constant (C·mol−1) |
JJ | current density (mA/cm2) |
k | rate constant for enzyme complex (s−1) |
kcat | catalytic rate constant (s−1) |
KM | Michaelis Mention constant (mM) |
N | flux (mol·m−2·s−1) |
R | universal gas constant (J·mol·K−1) |
T | room temperature (K) |
v | enzyme reaction (mol·m−3·s−1) |
z | number of electron transferred |
Greek
σ | electric conductivity (S·m−1) |
ø | electric potential (V) |
Conflicts of Interest
References
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Song, Y.; Penmatsa, V.; Wang, C. Modeling and Simulation of Enzymatic Biofuel Cells with Three-Dimensional Microelectrodes. Energies 2014, 7, 4694-4709. https://doi.org/10.3390/en7074694
Song Y, Penmatsa V, Wang C. Modeling and Simulation of Enzymatic Biofuel Cells with Three-Dimensional Microelectrodes. Energies. 2014; 7(7):4694-4709. https://doi.org/10.3390/en7074694
Chicago/Turabian StyleSong, Yin, Varun Penmatsa, and Chunlei Wang. 2014. "Modeling and Simulation of Enzymatic Biofuel Cells with Three-Dimensional Microelectrodes" Energies 7, no. 7: 4694-4709. https://doi.org/10.3390/en7074694