کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1298997 | 1498417 | 2005 | 11 صفحه PDF | دانلود رایگان |
A Kinetic Monte Carlo (KMC) model is presented which simulates the open-circuit voltage and electrical double layer of a doped electrolyte. The computational grid approximates the defect spacing in an electrolyte, so the length scale is atomistic. Numerical results for steady state, open-circuit voltage match analytical predictions over a wide range of oxygen pressure differentials. A general analytical solution is then presented for the distribution of ions in a doped electrolyte subjected to an external voltage. Using available data for Yttria-Stabilized Zirconia (YSZ), it is found that the KMC simulator computes ion concentration profiles and electrical double layers in close agreement with the predictions of the analytical model. A localized or differential updating scheme is used for the electric field that significantly reduces the computation time.
Journal: Solid State Ionics - Volume 176, Issues 29–30, September 2005, Pages 2181–2191