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[Rigorous algorithms for calculating the exact concentrations and activity levels of all the different species during
1Laboratoire de Chimie Analytique, Département d'études physico-chimiques, biocinétiques et pharmacologiques des pharmacosystèmes. Faculté des sciences pharmaceutiques et biologiques, 2 avenue du Pr Léon Bernard, F 35043, Rennes.
Abstract:
The principles of two algorithms allowing the calculations of the concentration and activity levels of the different species during acid-base titrations in water are described. They simulate titrations at constant and variable ionic strengths respectively. They are designed so acid and base strengths, their concentrations and the titrant volume added can be chosen freely. The calculations are based on rigorous equations with a general scope. They are sufficiently compact to be processed on pocket calculators. The algorithms can easily simulate pH-metric, spectrophotometric, conductometric and calorimetric titrations, and hence allow determining concentrations and some physico-chemical constants related to the occurring chemical systems.