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Units for Picking Up Results


MBOTZ
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I am using React with several reactants added to the system.  At the end of the run, I then use Run>Pickup>System>Entire to pull the final results into the Basis pane as a new starting point.  However, the units for the basis species are all changing to mol and free molal - I started the system originally with units of mg/kg.  Is there a way to specify the units that apply when using Pickup?  Or, is there a way to automatically change/convert the units after picking up?  Thank you.

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Hello,

There is no option to select units when using the pickup command. Within the Basis and Reactants pane, the GWB does not provide a built in way to automatically convert between different units. You can, however, drag and drop the Results from a simulation into GSS and then use GSS to convert one or multiple units. For more information on this, please see section 1.7 Drag and drop feature in the GWB Essential User Guide. 

To see more details regarding the pickup feature, please see the GWB Command Reference. 

Best regards,
Jia Wang
Aqueous Solutions LLC

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  • 1 month later...

Hi Jia.  I attempted to use the Pickup command and drag/drop the React results into GSS.  In GWB-React I am reacting NaOH into water to form a concentrated solution.  I then use Run-Pickup-System-Fluid, and the Basis pane is populated with results from the reaction path.  I then right-click on the Basis pane and drag the results to a GSS sample, and GSS is populated with the results.  During the drag-drop, the units from GWB-React are automatically converted into the units specified in GSS.  When I check the concentration of Na+ (for example) they are different between GWB-React vs. GSS.  In GWB-React, the concentration of Na+ is reported to be 172,524 mg/kg after Run-Go ("report concentration Na+ mg/kg").  After performing Run-Pickup-System-Fluid, right-clicking and dragging/dropping the results from the Basis pane into GSS, the concentration of Na+ in GSS is shown as 197,742 mg/kg.  There are also similar discrepancies in the concentrations of other species.  I have attached the two GWB files that I'm working with. Thank you.

IR+NaOH.rea Itapirucu River Water.gss

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Hello,

I believe the issue here is that the dissolved solid concentration (mg/kg)  used to convert units for each component in GSS is not copied over. The pickup command does not include the dissolved solids concentration from the simulation results. You can add it manually in the basis pane before dragging and dropping the Basis pane into GSS. Alternatively, you can also drop and drag the Results pane before the pick up command, that would automatically include TDS as an analyte to the spreadsheet. 

Hope this helps,
Jia

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