Can DigiSim suggest a mechanism for a given voltammogram?
No. It is up to the user to propose a mechanism and to enter initial estimates for thermodynamic and kinetic parameter values. Once these have been entered, the fitting routine in DigiSim can be used to optimize the values of user-specified parameters to obtain the best fit between the experimental and simulated data. This process requires that the user has a good intuitive understanding of the characteristic voltammograms for various mechanisms. This understanding can be developed using DigiSim by examining the current responses for various mechanisms as the parameter values are varied.
Related Questions
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