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Analyze of Effects of Temperature and pH on Samples


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Hello,

I was wondering if there is a more efficient way to see how changing factors, such as Temperature and pH, will affect the other parameters of a sample? Using GSS, I have been inputting data from a sample into various columns, and manually changing the temperature (or the parameter I want to manipulate). Then, to view how other parameters are affected I graphed the results.

After reading the GWB Essentials Guide, I was curious if Act2 or Tact could be used for this. Where else could I look for more information on how to approach this?

I hope this makes sense, any guidance is appreciated!

 

Thanks

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Hello Ana,

With regards to Act2 and Tact, these are diagram generators that calculate simple equilibrium reactions and then assemble them into an activity diagram. The fields displayed show the predominant species at specified range of activities (or temperature in the case of Tact) on the X and Y axes. 

It sounds like the sliding reaction paths might be what you're looking for. In the React application, users can set the initial composition and temperature of the system and then vary the temperature linearly from an initial to a final value over a reaction path to see how the system changes. The same type of reaction path can be set for varying pH as well.To see specific examples on how to configure a React instance, please section 3.4 Polythermal reaction paths and 3.6 Sliding activity and fugacity of the GWB Reaction Modeling User Guide. 

The GWB Academy online also offers a variety of self guided courses and examples for beginner and advanced users. In particular, you may be interested in the Geothermometry lesson, an example using the sliding temperature path. 

Another great resource for leaning the software is the Biogeochemical and Geochemical Reaction Modeling textbook, written by the primary developer of the software. You can find the theory behind reaction modeling and examples tailored for the GWB in this work. 

We might be able to answer more specific questions about functionality if we know what you're trying to model. If you are troubleshooting a specific issue, please post a description of the problem and  the input file along with the thermo dataset so we can take a closer look. 


Best regards,
Jia Wang
Aqueous Solutions LLC

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