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


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.

Copyright © 2010 by American Society of Mechanical Engineers
Your Session has timed out. Please sign back in to continue.



Grahic Jump Location
Figure 7

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

Grahic Jump Location
Figure 8

RDF between hydroniums ions and water molecules

Grahic Jump Location
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.

Grahic Jump Location
Figure 5

Initial molecular system model with water molecules

Grahic Jump Location
Figure 6

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

Grahic Jump Location
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.

Grahic Jump Location
Figure 2

Molecular structure and chemical structure of the PQQ

Grahic Jump Location
Figure 3

Molecular structure and chemical structure of the FAD

Grahic Jump Location
Figure 4

Schematic configuration of the simulation system

Grahic Jump Location
Figure 9

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



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 eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In