pKa Calculations > Full Speciation

The macroconstants are based on the N*2(N-1) microconstants where N is the number of ionizable sites. Full speciation provides macroscopic pKa's which are related to the observable pKa's measured experimentally.

You can press the press the Estimate Calculations button and see the number of microconstants that may be calculated. When the calculate button is pressed you will see a tabbed output. The tabs and their content are:

•Rxns: these are the graphical depiction of the microconstants and their calculated micro pKa's.

•Macros: these are the macroscopic pKa's and the species involved in the reaction.

•Plot and Species: this is a plot of the relative concentration of the species as a function of pH.

•Data Table: this is a table of numerical concentration as a function of pH and the overall molecular charge as a function of pH.

•References: these are the references to the observable pKa's if they are in the local pKa database.

Click here to watch a tutorial video.