J.S. Mattson, H.B. Mark Jr., H.C. MacDonald Jr.,Editors, ,Computers in Chemistry and Instrumentation, Vol. 2, Electrochemistry (1972) Dekker,New York.
โ Scribed by R.M. Reeves
- Publisher
- Elsevier Science
- Year
- 1973
- Weight
- 223 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0022-0728
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โฆ Synopsis
This volume is part of a series aimed at bridging the time lag that exists between the rapid developments in computer technology and the practice or application in the physical sciences. The articles in this volume are concerned with applications of computers to electrochemical problems. The chapters are intended to inform the specialist as well as to broaden the outlook of the non-specialist in the field, a formidable aim for any volume dealing with what is still essentially a specialist field. The chapters have been somewhat arbitrarily subdivided into three sections dealing respectively with calculations, simulation methods and instrumentation. It is not possible within the space of such a review to criticise all thirteen papers but by discussing aspects of some of the individual contributions, the range of subject matter, the approaches and the widely different depths of discussion may be indicated.
The first part opens with a discussion of the problems of numerical analysis of electrocapillary (capacitance) data. The discussion concentrates almost entirely on error problems in fitting for differentiation of surface tension functions but does not consider the severe problems of integration of adsorption-desorption data for organic systems. The relationship between precision of raw data and resultant errors in double layer analysis although considered quantitatively might better be considered in terms of the subsequent double layer analysis as workers in electrode kinetics tend to place much weight on, e.g. Frumkin type corrections, which involve quantities derived from such an integral analysis. The sliding fit method of differentiation of a curve on which much weight is placed has been employed by other workers in this field for at least a decade. The Fortran listings for the procedures discussed in the chapter are appended although their value is debatable due to differences between machines. As with many of the programme listings in this volume, the programmes are inadequately annotated and might well have been replaced by a comprehensive flow chart of'the procedure. Ionic systems are not treated and the organic system considered is treated without consideration of any of the problems that such a system poses. No analysis of frequency dependence of the capacitance is included and the difficulties of integrating adsorptiondesorption peaks are neglected. The type of integration routine used is archaic and the restrictions on data input make the inclusion of listings of the programme valueless.
In a useful chapter, Herman clearly discusses the different techniques that can be used to elucidate the mechanism of organic reactions. The work is directed towards producing working curves to elucidate rate constants from chronoamperometry and chronopotentiometry. The problem with such techniques is that used in isolation by the unwary, they can lead to erroneous reaction mechanisms as they tend not to be as sensitive to time-dependent surface processes as are other
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