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Speciation of ions refers to the changing concentration of varying forms of an ion as the pH of the solution changes. [1]The ratio of acid, AH and conjugate base, A −, concentrations varies as the difference between the pH and the pK a varies, in accordance with the Henderson-Hasselbalch equation.
In particular, the pH of a solution can be predicted when the analytical concentration and pK a values of all acids and bases are known; conversely, it is possible to calculate the equilibrium concentration of the acids and bases in solution when the pH is known. These calculations find application in many different areas of chemistry, biology ...
C A is the analytical concentration of the acid and C H is the concentration the hydrogen ion that has been added to the solution. The self-dissociation of water is ignored. A quantity in square brackets, [X], represents the concentration of the chemical substance X. It is understood that the symbol H + stands for the hydrated hydronium ion.
K 1, K 2 and DIC each have units of a concentration, e.g. mol/L. A Bjerrum plot is obtained by using these three equations to plot these three species against pH = −log 10 [H +] eq, for given K 1, K 2 and DIC. The fractions in these equations give the three species' relative proportions, and so if DIC is unknown, or the actual concentrations ...
There are two main kinds of complex: compounds formed by the interaction of a metal ion with a ligand and supramolecular complexes, such as host–guest complexes and complexes of anions. The stability constant(s) provide(s) the information required to calculate the concentration(s) of the complex(es) in solution.
The concentration of water, [H 2 O], is omitted by convention, which means that the value of K w differs from the value of K eq that would be computed using that concentration. The value of K w varies with temperature, as shown in the table below. This variation must be taken into account when making precise measurements of quantities such as pH.
A free concentration [A] or activity {A} of a species A is measured by means of an ion selective electrode such as the glass electrode. If the electrode is calibrated using activity standards it is assumed that the Nernst equation applies in the form = + {}
The pH can be calculated using an ICE table. Note that in this example, we are assuming that the acid is not very weak, and that the concentration is not very dilute, so that the concentration of [OH −] ions can be neglected. This is equivalent to the assumption that the final pH will be below about 6 or so. See pH calculations for more details.