In article <1993Mar18.122756.24525 at kth.se> tomas_e at LINK.Physchem.KTH.SE writes:
>In article <1993Mar18.155857.898 at otago.ac.nz>, alastair at farli.otago.ac.nz (Alastair Thomson), University of Otago, Dunedin, New Zealand writes:
>>>>We have been examining an ion-pair between eosin (anion) and
>>cetylpridinium chloride (cation) (a quaternary ammonium compound) by
>>spectrophotometry (542 nm) and are seeking to determine the ion-pair
>>association constant (K).
>>[...]
>>>What we want to know is the ion-pair constants for both the 1:1 (K1) and
>>1:2 (K2) complexes. Does anyone have a mathematical model we could use to
>>calculate these constants, and if so, can we use it?
>>This sound like a fairly standard evaluation of stability constants of
>complex formation. (Nevertheless, the actual computation of several K's
>simulataneously can be numerically very troublesome.) There are several
>different computer programs that are used to evaluate this kind of data,
>most commonly for ligand bonding to metal ions. Since this is a typical
>inorganic chemistry thing, I would recommend you to contact the
>inorganic chemistry department closest to you. I'm sure they will know
>someone who has the appropriate complex constant evaluation programs,
>and know how to use them.
>>Tomas
>-------------------------------------------------------------------------------
>Tomas Eriksson tomas_e at physchem.kth.se> Surface Force Group, Department of Physical Chemistry,
> Royal Institute of Technology, Stockholm, Sweden
>>"These latter-day practitioners of surface chemistry reflect a lingering of the
>adventurous spirit of the Enlightment" -- Charles Tanford
If you need help with the chemistry itself I would suggest the following ref:
Ionic Equilibria in analytical chemsitry by Henry Freiser and Quintus
Fernando. If you need just software to figure out your solubility equations
than I suggest Mathematica. I have used this software to create programs which
determine pka and pHs of pharmaceutical dosage formulations, which can get
quite complex!! The last eqn I created was a quarktic expression! It took
Mathematica, on a Mac SE/30, about 3 hrs to solve. Good luck
