Mechanistic Studies in Organo-Metallic Electrochemistry. The Role of Computer Based Techniques & Simulation

Autor: D. Mills, R. Luo, T. Boddington, Norman Taylor, P. Halford-Maw
Rok vydání: 1993
Předmět:
Zdroj: Molecular Electrochemistry of Inorganic, Bioinorganic and Organometallic Compounds ISBN: 9789401047104
Popis: The use of dedicated interactive microcomputer systems for electrochemical measurements & simulations is now feasible. The digitisation of the experimental response allows storage/retrieval etc. & provides the essential facility of post capture treatment of data. The forms of the latter include direct comparisons of data with simulations, countering influences of experimental artifacts including uncompensated electrolyte resistance & charging currents, & the creation of new forms of the data via convolution & other methods. Convolutions allow valid tests for adherence to important common mechanistic schemes, for example involving simple electron transfer E1 & fast electron transfer En reactions, ECcat processes & all or part of a CEC scheme with arbitrary rates of electron transfer & first order chemical kinetics In many cases combinations of whole data sets, for example at different sweep rates, can be employed in a single test thereby paralleling with the transformed data the simplicity of the relationships of polarography. In the case of E1 processes in chronoamperometry a new & equally exact alternative to convolution methods is described which is simpler to implement & has definite advantages experimentally.
Databáze: OpenAIRE