ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
The study of the structure of the electrode-solution interface usually involves the measurement of the differential capacity-potential characteristics of the system. In order to obtain the double-layer parameters from these data, integration and differentiation procedures are required and, for this purpose, the use of computational methods is of great value. Two computer programs have been written for the treatment of data for the adsorption of neutral molecules on electrodes. The programs use the charge density and the electrode potential as the electrical variable, respectively, and, in both cases, the differentiation procedures have been optimized by the use of an adequate numerical function. The advantages of doing a simultaneous analysis on both electrical variables are pointed out.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540020302
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