Computational Methods
It is assumed that the experimental data which have been collected comprise a set of data points. At each i-th data point, the analytical concentrations of the reactants, TA (i ), TB (i ) etc. are known along with a measured quantity, yi, that depends on one or more of these analytical concentrations. A general computational procedure has three main components.
- Definion of a chemical model of the equilibria
- Calculation of the concentrations of all the chemical species in each solution
- Refinement of the equilibrium constants
- Model selection
Read more about this topic: Determination Of Equilibrium Constants
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