Step 9: Analysis: The sigma potential

Select Analysis → Sigma Potential
In the left part of the window select 'water' for compound '1'
Select 'ethanol' for compound '2'
Select 'benzene' for compound '3'
Select 'methanol' for compound '4'
Press 'Run'

The sigma potentials (σ-potential) of the three pure compounds will be shown in a graph and in a table in the right part of the window. The σ-potential depends on the temperature of a compound. Here the temperature is set to 25 °C (298.15 K).

If the default settings are used, the red curve is the water σ-potential, the blue curve the methanol σ-potential, the green curve is the benzene σ-potential, and the yellow curve is the methanol σ-potential. In the details for the graph window the line widths for all curves were set to '3'.

Note that the σ-potential is not calculated for values of the COSMO charge density that are non-existent on the COSMO surface of a certain compound.