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Is it possible to visualize the chemical prediction equilibrium equations?
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Topic: Is it possible to visualize the chemical prediction equilibrium equations? (Read 839 times)
Juan Sebastian
Top Contributor
Posts: 25
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
Global Moderator
Posts: 4030
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
Top Contributor
Posts: 25
Re: Is it possible to visualize the chemical prediction equilibrium equations?
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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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Is it possible to visualize the chemical prediction equilibrium equations?