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Software: Electrochemical Simulations Package, ESP

Electrochemical Simulations Package, ESP This manual (ASCII format) can be found inside the zip file. ESP [1] is a program to perform general electrochemical simulations and Best Fitting of experimental data. Some ideas (i.e. expanding space grid and Runge-Kutta integration) are inspired by Gosser's simulator CVSIM [2], who applied them into his simulator. Usually electrochemical simulators, i.e. like CVSIM [2], implement an "analog" waveform; ESP implement a "digital" one. It means that CV is performed by ESP as Staircase Voltammetry (SCV) rather than Cyclic Voltammetry (CV). Many electrochemists mistake analog for staircase CV. It is important to recognize that SCV and analog response are different. To my knowledge this is the first implementation of a digital-ramp simulator. With the large diffusion of digital potentiostat, like EG&G 273, SCV plays an important role with respect to analog potentiostat. Digital potential waveform allow the easy design of new techniques, as well as a less dependence of the shape of E/i plots from double layer capacitance, due to the exponential decay of the charging current. In the remaining part of this manual, CV term is used instead of the proper SCV. Available techniques in ESP are Cyclic Voltammetry (CV), Square Wave Voltammetry (SWV), Cronoamperometry (CA) and Sampled DC Polarography (SDC). This latter technique can be simulated either by solid electrode (constant area) or by dropping mercury electrode. The former can be supposed to be the simulation of a vibrating solid electrode, whereas the latter is simulated adopting the concept of a flat electrode moving towards the bulk of the solution which surface area (a sphere) increase by time [3].

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