화학공학소재연구정보센터
Journal of Electroanalytical Chemistry, Vol.529, No.2, 97-108, 2002
Digital simulations on unequally spaced grids. Part 1. Critical remarks on using the point method by discretisation on a transformed grid
The paper demonstrates that the variable transformation variant of the point method (point 2 methods throughout the paper) suffers from serious problems, which prevent efficient simulations of electrochemical kinetic-diffusion systems. It will be shown that the limitation of the applicability of this method to very slowly expanding grids and small values of the grid parameter a does not result from the nature of the diffusion problem. It is simply a consequence of inaccuracies introduced by discretizing equations resulting from a variable transformation which hold true only if the limiting process Delta Y --> 0 is really executed. Such problems can be avoided by an alternative implementation of the point method (point I method throughout the paper) based on discretizing the second-order space derivative directly on the expanding grid using unequal intervals. This method is only first-order accurate but works much better than the variable transformation variant. It gives fairly accurate results on moderately expanding grids (Delta Y --> 0.25) no matter how large the parameter a is, However, due to the reduced precision of both methods neither of the two is able to compete with more accurate techniques such as the finite element or box method.