Mineral saturation result is doesnot match from GSS and SpecE8 command

[Delli Babu]

DoesnotMatchMineralSaturation.docx

[Jia Wang]

Hello,

If the results are not agreeing between SpecE8 and GSS, then you are probably not using the same commands. You can see in your first screenshot, when you are entering commands like "decouple HS- = 3.56 mg/l as H2S(aq)" you are getting errors telling you that you can't find 3.56 to decouple. The command "decouple HS-" is valid but you need to set the concentration for the component HS- in a separate line like you have for other components. You can refer to the Command Reference or open an example that has added decoupled redox species concentrations in a text editor (e.g. Notepad) to see what is the correct syntax. An example of such is Redox.sp8 in your GWB Script folder.

The simplest way to see the commands passed to SpecE8 from GSS for "calculated analytes" is to use the Launch feature to create the corresponding SpecE8 script. From GSS, go to the Analysis menu tab->Launch..., select the sample desired and the SpecE8 application. When you hit Ok or Apply, the program will create a SpecE8 input file with your sample's composition. You can open the .sp8 file in a text editor to view the commands and compare them to what you have entered. See chapter 3.5 Launching SpecE8 and React for more details.

In the second screenshot, it looks like the output text file is showing results from the calculation with a different set of inputs than that of the GSS example shown. Please check that you are comparing the same set of inputs. Again, I would suggest that you use the Launch feature in GSS to generate the corresponding SpecE8 input file and open it in the text editor to see what commands are being passed.

If you have any further questions, please use words to describe the issues encountered and provide the input files so we can better troubleshoot.

Best regards,
Jia Wang
Aqueous Solutions LLC