How to add surface species in initial pane?

[Aditya-Puru]

I am trying to pickup results from x1t and use it for another x1t simulation. I have a surface species (created by me) that is essential to our reactions. Surface species contains 10 different sites (hence 10 basis surface species). These sites react and form other surface species. I want to add those species in the initial phase for another run. For example how can I add something like below to the initial system.
 


 

[Jia Wang]

Hello Aditi,

The program does not allow you to set a specific amount of individual surface species in the initial system. The program will calculate an amount of surface species in your system based on the bulk concentrations of species if you have a sorbing surface. It sounds like in this case, that you are setting the fluid concentration of solutes and there are additional solutes sorbed on your complexation sites. If this is the case, then you can leave the "sorbate include" option in the Options dialog unchecked and have the program calculate an additional amount sorbed in addition to your dissolved fraction. You can perform a Go Initial run (under the Run menu) to see the result of the speciation of your initial system. Please see examples regarding Sorbate Include in section 7.7 Sorption onto mineral surfaces.

Best regards,
Jia Wang
Aqueous Solutions LLC