How do I calculate the proportion of respective conjugates of one base mixed with several acids (and/or conversely) at different temperatures, and is there a free software tool that would allow me to interact with the computations therefor (e.g. search the temperature or portion that maximises one conjugate over another)?


closed as off-topic by Tyberius, airhuff, Todd Minehardt, Poutnik, Karsten Theis Jun 10 at 20:25

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  • $\begingroup$ We have a policy which states that ‎you should show your thoughts, effort and attempts to understand underlaying principles. It'll make us certain that ‎we aren't doing your homework for you. Basically any question with the wording your question has is considered homework; it needn't be literally one. Self-study questions, puzzles, worked examples etc. also count as homework. Otherwise, such a question may get closed.‎ Please edit in your full reasoning or thoughts on this. See Homework $\endgroup$ – Poutnik Jun 10 at 17:23
  • $\begingroup$ @Poutnik Hello! Thanks for explaining this. This is not a homework question. I genuinely have no idea where to start to answer the functional need I have to be able to calculate this and dynamically interact with the computation. I run a google and Quora search to no avail, which leads me to asking the question here. $\endgroup$ – Veritas Jun 10 at 19:57
  • $\begingroup$ I'm not looking for a specific result but for (1) the laws / computations necessary to produce the result, and for (2) which free software would allow me to both interact with such computations in an advanced way and to have a library of molecular characteristics as input. $\endgroup$ – Veritas Jun 10 at 20:05

If you want a general solution for complex mixtures, where simplified formulas do not apply, you may need to involve numerical mathematics.

As solving the equation set may lead to polynomial equation of higher order you may like.

Enumerate equations of the known.

First, charge balance. Then, mass balances. Finally, dissociation equilibriums.

Involve a function of [H+] with a minimum at the value being searched for.

About temperature, there is problem the constants are rarely provided for other but the standard temperature $\pu{25 ^{\circ}C}$

  • $\begingroup$ Is there a software that could dynamically factor in constants vs temperature? $\endgroup$ – Veritas Jun 11 at 4:45
  • $\begingroup$ Rather, is there software with available thermodynamic data of hydrated species like Gibbs energy,enthalpy and entropy ? $\endgroup$ – Poutnik Jun 11 at 4:51
  • $\begingroup$ Though I cannot say for sure, yes I suppose this is what I am ignorantly looking for (free if possible). Do you know of such a software? $\endgroup$ – Veritas Jun 12 at 5:20

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