Is there any reliable free software to draw the acid dissociate vs. pH plot? For example, in the case of citric acid at pH=7, the portion of the ions in the solution?
I like the HySS program. It's pretty good for drawing equilibrium speciation plots of protonation reactions, complexation reactions, etc. It's not too hard to use and is free of charge. You can also export the data into Excel format for plotting for manuscripts and presentations.
http://www.hyperquad.co.uk/hyss.htm
(Interesting thing to note, that citric acid is one of the systems that is included when you download the program, so all you have to do is change the concentration to match your system and you're good to go for your example.)
As a side-note, they also sell a program, Hyperquad, which helps to determine protonation constants and complex formation constants from spectrophotometric or potentiometric experimental data.
The free Marvin/Jchem suite from chemaxon (http://www.chemaxon.com/) offers reliable calculation of microspecies at a given pH and is also able to draw a plot of microspecies vs pH. I hope this helps.
I like the HySS program. It's pretty good for drawing equilibrium speciation plots of protonation reactions, complexation reactions, etc. It's not too hard to use and is free of charge. You can also export the data into Excel format for plotting for manuscripts and presentations.
http://www.hyperquad.co.uk/hyss.htm
(Interesting thing to note, that citric acid is one of the systems that is included when you download the program, so all you have to do is change the concentration to match your system and you're good to go for your example.)
As a side-note, they also sell a program, Hyperquad, which helps to determine protonation constants and complex formation constants from spectrophotometric or potentiometric experimental data.
The recently developed KEV software (https://k-ev.org/) could be used for this aim (to calculate the equilibrium composition of ions and make a plot using any other software, e.g. MS Excel). It is free of charge and requires only a preliminary e-mail registration.
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