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Author Topic: Is it possible to visualize the chemical prediction equilibrium equations?  (Read 839 times)

Juan Sebastian

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Is it possible to visualize the chemical prediction equilibrium equations?
« on: 14/06/24 19:22 »
Hello,

First of all, thanks for this forum. It is very helpful!

I am working on some direct speciation models (distribution of species). This is very easy using Phreeqc, but I know that all the mathematical equations behind those calculations are very complex.

I have the following question: is it possible to download or visualize the chemical equilibrium equations that produce each of the aqueous species as a product (e.g., Al: AlSO4+, Al(SO4)2-; As: H3AsO3, H4AsO3+; Ca: CaHSO4+, CaH2PO4+, etc.) in the distribution of species section in the output file?

The distribution of species section provides the master variables: species, molality, log-Molality, Log-Activity, and Log-Gamma. These variables are very useful, but also it would be very helpful to be able to see the chemical equilibrium equations. Is there a method to visualize those equations?

I am looking forward to being able to do this.

Thank you so much!
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dlparkhurst

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Re: Is it possible to visualize the chemical prediction equilibrium equations?
« Reply #1 on: 14/06/24 23:58 »
No, there are no Basic functions to retrieve the equation for a species or phase.

All of these equations are in the database that you are using in readable form. The order of the species, however, is arbitrary; so it may be hard to find the species you are interested in.

David Kinniburgh has developed a tool called lsp, which may be of use. It allows you to extract information from a database, for example, all of the calcium species. You can find lsp at https://phreeplot.org/.
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Juan Sebastian

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  • Posts: 25
Re: Is it possible to visualize the chemical prediction equilibrium equations?
« Reply #2 on: 15/06/24 00:39 »
Thank you so much for your reply, Mr. Parkhurst!

I will install the lsp app and start using it.

Thanks again!

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