Chemical Physics Letters, Vol.643, 71-76, 2016
Brute force (or not so brute) digital simulation in electrochemistry revisited
The use of very high order spatial discretisation in digital simulation of electrochemical experiments is assessed, considering up to asymmetric 8-point approximations for the derivatives. A wide range of conditions are examined, including several mechanisms and electrodes and potential-step and potential-sweep experiments. In all cases it is found that asymmetric multi-point approximations in combination with exponentially expanding grids provides very accurate results and with very reduced number of grid points (<15). Consequently, the direct ('brute force') resolution of the finite-difference equation system by standard matrix techniques becomes a competitive and more general alternative to specialised methods like the Thomas algorithm. (C) 2015 Elsevier B.V. All rights reserved.