Calculate the saturation index (SI) over time of cement paste phases

[chalco01]

Hello, how can we obtain the SI (saturation index) of the phases of a cement as a function of time ?
Can we use the Parrot and Killoh model and adapt it to extract this information ?

[gdmiron]

Hello, this is possible, would you like to use the GEM-Selektor graphical interface or xGEMS and do it in a jupyter notebook/Python? Here is the function to retrieve the phases saturation indexes

[chalco01]

Hello,
Thanks for you response. I would like to try with the GEM-Selektor interface first.

[gdmiron]

To do this in GEM-Selektor graphical interface you need to set the value in column Upper_KC to 0. For example here for calcite:

Then when equillibrating you can see the saturation index in column logSI/Activity

In a process calculation you can sample it with lga:

For single-component condensed phases (e.g. minerals): the lga value is equivalent to decimal logarithm of the saturation index (not necessarily in aqueous solution).

if you want to set Upper_KC to 0 for multiple species you can do it easier in the Detailed input recipe table