Escolar Documentos
Profissional Documentos
Cultura Documentos
simulation
Installation
interface
File command
Saving a File
To save the simulation, click on the File menu and select Save As to save
the file with a name.
To set the simulation parameters, click on the Experimental setup menu and
select Mechanism, there are 4 mechanisms available, E,EC, ECE, ECatalysis,
choose the preferred mechanism, the reaction mechanism will show in the left
top of the window.
Change the reaction parameters in the table (left middle). All the units of the
parameters are SI base units.
The check box of Surface Reaction used to specify the reaction occurs in the
bulk or on the surface, if this option is chosen, then all the species are
absorbed on the electrode surface.
Click on the Experimental setup menu and select Techniques, there are 2
techniques available, Cyclic Voltammetry and Chronoamperometry, choose
the preferred technique, the technique parameter table will show in the left
bottom of the window.
Change the electrical parameters in the table. All the units of the parameters
are SI base units.
Export results
The Export menu use to export the simulation results. Note that this option is
not available when you have changed the parameters, run the simulation to
activate the export menu,
To export the concentration profiles, click on the export menu and select
export the concentration profiles, with a file name. This command will open a
new window display the concentration profiles, and export a video (mp4
format) of the evolving concentration profiles.
To export the plot in the main axes, click on the export menu and select the
plot data, with a file name. This command will create a spreadsheet csv store
the plot data.
Superposition of plots
1. A large potential range will lead converge problem, for reversible reaction,
the potential sweep range should less than 5v.
2. Chronoamperometry simulation generally takes a long time. (about 30s)
practice.
Figure S1. The voltammetry plots of a reversible electron transfer reaction (E)
with varied scan rate.