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The program mediates between two terminological concepts: The calculations are performed in the "scientific realm" of thermodynamics (activities, speciation, log K values, ionic strength, etc.). Then, the output is translated into the "language" of common use: molar and mass concentrations, alkalinity, buffer capacities, water hardness ...
McIlvaine buffer is a buffer solution composed of citric acid and disodium hydrogen phosphate, also known as citrate-phosphate buffer.It was introduced in 1921 by the United States agronomist Theodore Clinton McIlvaine (1875–1959) from West Virginia University, and it can be prepared in pH 2.2 to 8 by mixing two stock solutions.
The Henderson–Hasselbalch equation relates the pH of a solution containing a mixture of the two components to the acid dissociation constant, K a of the acid, and the concentrations of the species in solution. [6] Simulated titration of an acidified solution of a weak acid (pK a = 4.7) with alkali
Buffer capacity falls to 33% of the maximum value at pH = pK a ± 1, to 10% at pH = pK a ± 1.5 and to 1% at pH = pK a ± 2. For this reason the most useful range is approximately pK a ± 1. When choosing a buffer for use at a specific pH, it should have a pK a value as close as possible to that pH. [2]
[2] [3] [4] They were first described by physical chemist Kenneth Pitzer. [5] The parameters of the Pitzer equations are linear combinations of parameters, of a virial expansion of the excess Gibbs free energy, which characterise interactions amongst ions and solvent. The derivation is thermodynamically rigorous at a given level of expansion.
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Example Bjerrum plot: Change in carbonate system of seawater from ocean acidification.. A Bjerrum plot (named after Niels Bjerrum), sometimes also known as a Sillén diagram (after Lars Gunnar Sillén), or a Hägg diagram (after Gunnar Hägg) [1] is a graph of the concentrations of the different species of a polyprotic acid in a solution, as a function of pH, [2] when the solution is at ...
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