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Research Papers

Magnetic Field Effect on the Hydronium Diffusivity at an Enzymatic Biofuel Cell Anode via Atomistic Analysis

[+] Author and Article Information
C. P. Chiu

Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan

C. W. Hong1

Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwancwhong@pme.nthu.edu.tw

1

Corresponding author.

J. Fuel Cell Sci. Technol 7(2), 021003 (Dec 30, 2009) (5 pages) doi:10.1115/1.3081427 History: Received June 12, 2007; Revised July 21, 2008; Published December 30, 2009; Online December 30, 2009

This paper investigates how a constant magnetic field between the anode catalyst and the electrode surface affects the performance of an enzymatic biofuel cell. Molecular dynamics techniques were employed to observe the nanoscale proton transport phenomenon. The simulation model comprised a Au electrode, pyrroloquinoline quinine, flavin adenine dinucleotide, and glucose macromolecules with hydronium ions in aqueous solution. A constant magnetic field was applied parallel to the anode electrode surface in the simulation process. It is found that the magnetic field is able to enhance the hydronium mobility in the solution and the rate of the biochemical reaction increased. Simulation results show that the hydronium diffusivity increases from 3.80×109m2/s to a maximum 19.91×109m2/s at a glucose concentration of 27 mM and from 13.02×109m2/s to a maximum 36.44×109m2/s at a glucose concentration of 82 mM.

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Figures

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Figure 1

Molecular structure of the hydroxonium. The bond length of O–H is 0.998 Å and the bond angle ∠HOH is 112 deg.

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Figure 2

Molecular structure and chemical structure of the PQQ

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Figure 3

Molecular structure and chemical structure of the FAD

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Figure 4

Schematic configuration of the simulation system

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Figure 5

Initial molecular system model with water molecules

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Figure 6

Temperature variation record of the simulation system in the equilibrium stage for 300 ps. The fluctuation is within 5%.

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Figure 7

Snapshots of simulation result at the elapsed time of (a) 15 ps, (b) 30 ps, (c) 100 ps, and (d) 300 ps

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Figure 8

RDF between hydroniums ions and water molecules

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Figure 9

MSD of the hydroniums under constant magnetic fields of B=0.92 T and B=0 T

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Figure 10

Diffusion coefficient of hydronium ions as a function of magnetic flux density. Both concentrations show that the optimal magnetic strength is at 2.76 T.

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