I'm looking for a program to derive complex stability constants from phmetric data. I've found multiple references to SCOGS or MINIQUAD programs but they are out of date and I can't find them anywhere.
Could anyone pass a link to a software which available nowadays?
Best regards,
Marcin Stec
If you can look at "Excel for Chemists" by E. Joseph Billo (Wiley-VCH). (I have 2nd edition, there it is chapter 20, p329-372). Beware - for the examples in the book to work, you need to have the correct book and Excel version combination.
I've tried to contact Peter Gans, but without success. I will try again, because, as far as I can see, it is the only available software currently. Except Excel of course.
I've been using HyperQuad to calculate equilibrium constants from pHmetric data for many years, It is the best software I know, and although it is commercial it's price is usually inexpensive (a couple hundred euros I guess). For a freeware you can try Curtipot which is not more than an Excel spreadsheet with embeded macros from a brazilian academic (http://www.iq.usp.br/gutz/Curtipot_.html). I haven't tried it myself but I was told it is quite useful.
Thanks for your clues. I've tried Curtipot with success, however I will also have to try HyperQuad, as it has a good reputation.
If you still require a software for the determination of equilibrium constants from experimental data, I could recommend recently developed KEV (https://k-ev.org/). It is web-interface based and free of charge; though the simple e-mail registration prior to use is required.
Another software that supersedes SCOGS and MINIQUAD is the BSTAC software package, which has been developed till the 90's by the Prof. Sammartano's group at the University of Messina.
The software is not compatible anymore for modern systems but our research group did a recompile of the original source code to make it compatible to all modern operating systems once again. You can find it, along with the original article explaining its inner workings, in this GitHub page: https://github.com/Kastakin/BSTAC
Just a small note on the topic: we are in the midst of doing a full rewrite of BSTAC, including its functionality in the PyES software (https://github.com/Kastakin/PyES), which is an open-source published software package that for the time being is able to solve solution and precipitation thermodynamic equilibria problems. Follow the project if you are interested in seeing in being the first to know when it will include optimization routines too.
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