Molybdenum Kd Intergration

[shensel]

Hello,

I have laboratory Kd data for molybdenum that I would like to incorporate into a model, but don't see a way to add molybdenum to the Kd.sdat file. Is this possible to do with GWB?

 

Thanks,

Scott

[Jia Wang]

Hello Scott,

Could you provide a bit more detail about your attempt? Are you unable to find the element in your dataset? Or, is adding the desired reaction the issue?

Best regards,
Jia Wang
Aqueous Solutions LLC

[shensel]

Hi Jia,

Thank you for the reply. I am trying to find a way to add molybdenum to the dataset so that I can add a surface species with my lab Kd data incorporated. I cannot find molybdenum in the Kd.sdat file, nor a way to add it (the add button is greyed out). Maybe I am going about this wrong?

 

Thanks,

Scott

[Jia Wang]

Hello Scott,

The Kd.sdat file draws its elements and species from thermo.tdat, which does not contain molybdenum. You can view and change the thermo file loaded for this surface dataset on the Header pane. Hit the "Browse" button to change thermo file to one that contains the elements and species that you need to draw from to create your surface reaction dataset.

Hope this helps,
Jia

[shensel]

Ah of course, that solves my problem. Thank you!

[Jia Wang]

You're welcome Scott. Glad to hear that helped.

Best regards,
Jia