Answers are grounded in this paper and cite their sources.
A new algorithm for the simultaneous determination of any number of protonation constants from potentiometric equilibrium data is described. This algorithm is characterized by a unique approach to the internal refinement of the constants and by the analytical nature of the numerical analysis whereby minimization is sought and achieved on the residuals between calculated and observed pH. The FORTRAN IV computer program PKAS utilizing this generalized algorithm has been written and developed and tested on 30 multidentate ligands. The details of the algorithm and the program are described and samples of its recorded usage are provided, indicating its versatility in application.
No takes yet. Share an insight, caveat, or question.
Motekaitis et al. (1982) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: