High-order spatial discretisations in electrochemical digital simulation. Part 3. Combination with the explicit Runge–Kutta algorithm

D Britz , O Østerby , J Strutwolf , T Koch Svennesen
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引用次数: 11

Abstract

The application of fourth-order finite difference discretisations of the second derivative of concentration with respect to distance from the electrode, in electrochemical digital simulations, is examined further. In the bulk of the diffusion space, a central 5-point scheme is used, and 6-point asymmetric schemes are used at the edges. In this paper, four Runge–Kutta schemes have been used for the time integration. The observed efficiencies, for the Cottrell experiment and chronopotentiometry, are satisfactory, going beyond those for the 3-point scheme. However, it is third-order Runge–Kutta, rather than the fourth-order scheme, which is the most efficient, the two resulting in practically the same errors. This is probably due to the computational procedure where a constant ratio of δt/h2 was used.

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电化学数字仿真中的高阶空间离散。第3部分。结合显式龙格-库塔算法
在电化学数字模拟中,进一步研究了浓度二阶导数与电极距离的四阶有限差分离散的应用。在大部分扩散空间中,中心使用5点格式,边缘使用6点不对称格式。本文采用了四种龙格-库塔格式进行时间积分。对于Cottrell实验和计时电位测定法,观察到的效率是令人满意的,超过了三点方案。然而,它是三阶龙格-库塔,而不是四阶格式,是最有效的,这两个产生几乎相同的误差。这可能是由于计算过程中使用了恒定的δt/h2比。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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Instructions to authors Author Index Keyword Index Volume contents New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS
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