DigiElch Professional 4.5.2.810

DigiElch is a Win32 program that computes the electrical current and the concentration profiles for any user-defined mechanism comprising an arbitrary number of charge transfer steps and first- or second-order chemical reactions. The program works for the most common electrode geometries including the simulation of thin layer cell experiments and the exact (two-dimensional) simulation of the electrical current response at band and disk microelectrodes. Effects such as IR-drop and/or double layer charging can be included in all these simulations.

The basic module of the program includes only a simulator for cyclic voltammetry. However, the functionality can be extended by purchasing licenses for extension modules, for instance those for chrono-amperometry or square-wave voltammetry. Real experimental current curves (stored as U/I- or t/I-couples in ASCII-files) can be imported into DigiElch and compared with simulated ones. The determination of thermodynamic and kinetic parameters involved in the underlying reaction scheme can be accomplished in this way either by "trial and error" (DigiElch - Standard) or by making use of the non-linear fitting procedure implemented into DigiElch - Professional.

• Very fast and accurate simulation of the current response for any user-defined mechanism that can be compose of charge-transfer steps and first- or second-order chemical reactions.
  
• 1D simulation of finite and semi-infinite diffusion processes for the most common regular 1D-electrode geometries.
  
• real 2D-simulations of such user-defined mechanisms for the band and disk electrode.
  
• inclusion of IR-drop and double layer charging.
  
• Two different simulation methods - a very fast "fixed grid simulator" providing extremely high exponential converegence towards zero for the simulated flux error and a relatively slow Adaptive Grid Simulator. The latter may be useful for simulating concentration profiles and/or for checking the accuracy of the fixed grid simulator by an independent method.
  
• Options for customizing colors and style of the screen display.
  
• Export of the screen display in Windows meta file format.
  
• Export of simulated current curves and concentration profiles into ASCII-files. Several formatting options which enable the exported data to be imported into third-party presentation software.
  
• Import of experimental (or re-import of simulated) current curves. In this way (and by using the Copy/Paste command) any number of such curves can be simultaneously displayed on the screen for studying the effect of parameter variations on simulated curves or for determining parameters yielding the "best fit" between experimental and simulated curves using a "trial and error" strategy.
  
• Simulated curve can be fitted to match an experimental curve with the smallest possible standard deviation using a non-linear regression strategy

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