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FT-Simulation Document

FT-Simulation Document

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FT-Simulation Document

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The FT-Simulation Document  holds an arbitrary number of FT (Fourier Transform - CV) - simulations. The current curves associated with these simulations are simultaneously displayed in the Client Area of the tabbed window headlined Simulations. The current curve referring to the active simulation (this is the simulation to which the menu commands in the Ribbon Bar refer) is plotted in black while the current curves of the inactive simulations are plotted in green by default. The default color settings and some other options for plotting the current curves can be customized in the associated Properties windows.

 

The concentration profiles simulated for the active simulation are shown in a tabbed window headlined C-Profiles  while the simulated surface concentrations are shown in the Tabbed Window: Surface Concentrations.  The latter also provides the option for displaying the surface coverage if there is at least one redox couples comprising adsorbed species.

 

The menu commands available when activating the Tabbed Window: Experiments enable the user to import experimental data files and to prepare the imported files (if necessary) before using them in a data fitting project. The fitting procedure can be started in the Tabbed Window: Data Fitting. The fitting procedure uses a non-linear regression strategy aimed at minimizing the overall standard deviation between simulated and experimental FT-curves by modifying the thermodynamic and kinetic parameters selected by the user in an iterative way. As long as the fitting procedure is running, a comparison between the currently simulated FT curve and its experimental counterpart is shown in the Data Fitting window. If the fitting procedure has terminated the user may want to see how well the simulated FT-curves are able to reproduce the experimental ones. The couples selected for being compared are shown in the Tabbed Window: Compare Curves.