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mineral stability diagram


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Hi, I'm using the student version of Geochemist's Workbench on my research and I'm trying to generate some reaction diagram of mineral stability. But it seems that I can't duplicate the figures created by other people in some papers, which are pretty old paper and they probably used other method to generate the diagrams. My question is whether the geochemist's workbench couldn't generate the proper slope of mineral lines, which reflect different chemical conditions and stability range? If it does, could you tell me how to duplicate the figures in the paper. Thanks. Any help and suggestion will be greatly appreciated.

mineral diagram.a.ac2

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post-12246-0-70934400-1452807563_thumb.png

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Hello,

 

Thank you for sharing your figures and Act2 file. As you started to do, you can use Act2 to create your desired stability diagrams. Your diagram looks pretty close to those you’re trying to reproduce, but I can think of a few things to check to make sure they’re exactly correct.

 

Be sure the thermodynamic data in your calculations is consistent with that used in the paper your figures are from. The GWB’s default thermodynamic dataset (thermo.tdat) was compiled at LLNL, but other thermo datasets also come installed with the software. You can use the thermo data editor, TEdit, to view or modify log Ks or add new reactions for species, minerals, etc. For more information on TEdit see Section 9 of the GWB Essentials Guide. You can also temporarily change the equilibrium constants in a calculation, rather than permanently modifying a dataset, using the “alter” command (Config – Alter log K). For more info, see section 3.3 alter in the GWB Reference Manual.

 

A stability diagram will plot the most predominant mineral form under the conditions you have defined. In any activity diagram, you can suppress a mineral to allow the next most stable species to form in its place (Config Suppress...). Sometimes it’s helpful to suppress all species then unsuppress those that you’d like to include in your diagram. For more information, see section 3.53 suppress in the GWB Reference Manual.

 

Hope this helps,

 

Katelyn

Aqueous Solutions LLC

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Thanks for the information, Kate, I will try to modify thermo datasets to see whether my figures will look the same as the ones from the paper. Thanks for the help. I really appreciate it.

Victor

 

Hello,

 

Thank you for sharing your figures and Act2 file. As you started to do, you can use Act2 to create your desired stability diagrams. Your diagram looks pretty close to those you’re trying to reproduce, but I can think of a few things to check to make sure they’re exactly correct.

 

Be sure the thermodynamic data in your calculations is consistent with that used in the paper your figures are from. The GWB’s default thermodynamic dataset (thermo.tdat) was compiled at LLNL, but other thermo datasets also come installed with the software. You can use the thermo data editor, TEdit, to view or modify log Ks or add new reactions for species, minerals, etc. For more information on TEdit see Section 9 of the GWB Essentials Guide. You can also temporarily change the equilibrium constants in a calculation, rather than permanently modifying a dataset, using the “alter” command (Config – Alter log K). For more info, see section 3.3 alter in the GWB Reference Manual.

 

A stability diagram will plot the most predominant mineral form under the conditions you have defined. In any activity diagram, you can suppress a mineral to allow the next most stable species to form in its place (Config Suppress...). Sometimes it’s helpful to suppress all species then unsuppress those that you’d like to include in your diagram. For more information, see section 3.53 suppress in the GWB Reference Manual.

 

Hope this helps,

 

Katelyn

Aqueous Solutions LLC

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