0
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

## Abstract

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 $3.80×10−9 m2/s$ to a maximum $19.91×10−9 m2/s$ at a glucose concentration of 27 mM and from $13.02×10−9 m2/s$ to a maximum $36.44×10−9 m2/s$ at a glucose concentration of 82 mM.

<>

## Figures

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.

Figure 2

Molecular structure and chemical structure of the PQQ

Figure 3

Molecular structure and chemical structure of the FAD

Figure 4

Schematic configuration of the simulation system

Figure 5

Initial molecular system model with water molecules

Figure 6

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

Figure 7

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

Figure 8

RDF between hydroniums ions and water molecules

Figure 9

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

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.

## Discussions

Some tools below are only available to our subscribers or users with an online account.

### Related Content

Customize your page view by dragging and repositioning the boxes below.

Related Journal Articles
Related Proceedings Articles
Related eBook Content
Topic Collections