Phase2 - 2D and 1D diagram values do not match

[muhammet]

Hi,

 

First of all, thank you for being very supportive so far. I have a question related to Phase2. I used the phase2 file attached to generate diagrams shown in the image file, I have meaningful results from Phase2 cross-section and confirmed with React and also experiments for the particular condition. However, 2D diagram does not match with the cross-section and React results (Please see the attached photo for more information). 

 

Could you help me to find the reason behind the inconsistent values, please?

 

Many thanks,

Muhammet

 

25C__ph1.ph2

[Jia Wang]

Hello Muhammet,

Thank you for attaching your input file. I wasn't able to reproduce your exact diagrams because I don't have your custom thermodynamic dataset, but here are a couple of suggestions that might help clear up some confusion. 

The cross section view plots variables on an XY grid for a row or column from the 2D phase diagram. I suggest that you double check the XY plots to make sure that they are plotting the row you are expecting from the phase diagram. In the XY plots, I see on the y-axis label "Xi, 0", which in this case means that you're plotting the cross section values in the bottom row of your phase diagram, where the pH is 1.004 and not 1.481. In the configuration dialog (under the tab "Step"), you can also change the Progress variable to display the "pH" instead of the "Rxn progress (y)", which might be helpful to see pH of the corresponding row you're plotting more clearly. If you would like to see more information and some examples of P2plot, refer to section 8.2 Cross-section Plot configuration in the GWB Reaction Modeling User Guide. 

Also note that the predominance diagram shows the species in the highest abundance. For example, if Ca++ , CaSO4, and Gypsum are present in the same node, the predominance diagram will color the node and assign subsection label according to the Ca containing species with the highest concentration. If you want to display fields where a mineral or group of minerals exist in the calculation, you can use an "Assemblage map" instead. You can also add a color mask of a variable's value range over the diagram axes, that would overlay onto either a predominance or assemblage map. If you're interested in the different the types of diagrams in P2plot, please take a look at section 8.1 2D Diagram in the GWB Reaction Modeling User Guide.

It sounds like you're making progress with the software and your work. I hope this helps.

Best regards,
Jia Wang
Aqueous Solutions LLC