Details of Grant 

EPSRC Reference:	GR/R17041/01
Title:	Simulation of Electrochemical Processes At Microelectrodes Using Adaptive Finite Element Methods
Principal Investigator:	Suli, Professor E
Other Investigators:	Gavaghan, Professor D Compton, Professor R
Researcher Co-Investigators:
Project Partners:
Department:	Computer Science
Organisation:	University of Oxford
Scheme:	Standard Research (Pre-FEC)
Starts:	01 October 2001	Ends:	31 March 2005	Value (£):	219,272
EPSRC Research Topic Classifications:	Electrochemical Science & Eng.
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:
Panel History:
Summary on Grant Application Form
The interpretation of electrochemical experiments is underpinned by mathematical models. These models allow experimental measurements to be described within rigorous theoretical frameworks which allow interpretation of the electrochemical processes that are taking place, and yield accurate values of the parameters governing the system. These mathematical models focus on heterogeneous electron transfer at, and mass transfer to, the working electrode, and on any associated homogeneous reactions in solution. In general this results in the need to solve complex systems of partial differential equations. For macro-devices, one spatial dimension is sufficient and general simulation packages are available. For modem micro-devices two spatial dimensions are required, and singularities in the associated boundary conditions and the variable time scales of reaction processes render the problems numerically challenging. Recent developments in adaptive finite element methods using a posteriori error bounds to drive the adaptivity have provided a means to develop a general simulation approach which overcomes these difficulties whilst giving a guaranteed level of accuracy. The proposed project involves a collaboration between a chemistry group with wide-ranging experience across the spectrum of modern electroanalytical techniques, and a numerical analysis group which has been central to the recent developments in adaptive finite element methods and their application in electrochemistry, in developing and validating against current state-of-the-art experimental techniques a computational approach to meet the objectives listed above.
Key Findings
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Organisation Website:	http://www.ox.ac.uk