Accuracy contours in (nT, λ) space in electrochemical digital simulations

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Title:Accuracy contours in (nT, λ) space in electrochemical digital simulations
Creators:
Britz, Dieter
Nielsen, Merete F.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 56, 1, pp. 20-41

Abstract

In finite difference simulations of electrochemical transport problems, it is usually tacitly assumed that λ, the stability factor <i>D</i>δ<i>t</i>/δ<i>x</i><sup>2</sup>, should be set as high as possible. Here, accuracy contours are shown in (<i>n</i><sub><i>T</i></sub>, λ) space, where <i>n</i><sub><i>T</i></sub> is he number of finite difference steps per unit (dimensionless) time. Examples are the Cottrell experiment, simple chronopotentiometry and linear sweep voltammetry (LSV) on a reversible system. The simulation techniques examined include the standard explicit (point- and box-) methods as well as Runge-Kutta, Crank-Nicolson, hopscotch and Saul’yev. For the box method, the two-point current approximation appears to be the most appropriate. A rational algorithm for boundary concentrations with explicit LSV simulations is discussed. In general, the practice of choosing as high a λ value when using the explicit techniques, is confirmed; there are practical limits in all cases.

Title:Accuracy contours in (nT, λ) space in electrochemical digital simulations
Creators:
Britz, Dieter
Nielsen, Merete F.
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:56
Number:1
Page Range:pp. 20-41
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19910020UNSPECIFIED
ID Code:4921
Item Type:Article
Deposited On:22 Feb 2010 11:26
Last Modified:22 Feb 2010 10:26

Citation

Britz, Dieter; Nielsen, Merete F. (1991) Accuracy contours in (nT, λ) space in electrochemical digital simulations. Collection of Czechoslovak Chemical Communications, 56 (1). pp. 20-41. ISSN 0010-0765

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