6533b829fe1ef96bd12896f4
RESEARCH PRODUCT
Comparative study of several programs used in the potentiometric evaluation of equilibrium constants including an error sensitivity analysis
J. J. Baeza BaezaC.mongay FernándezG.ramis Ramossubject
Systematic errorAccuracy and precisionVariable (computer science)ChemistryPotentiometric titrationEnvironmental ChemistryMinificationSensitivity (control systems)BiochemistryAlgorithmSpectroscopyEquilibrium constantAnalytical Chemistrydescription
Abstract The programs MINIQUAD, MINIPOT, SUPERQUAD and PHCONST are applied to the evaluation of the protonation constants of several hypothetical polyprotic substances using simulated titrations, and the precision and accuracy of the results are discussed and compared. When statistical weights are used the results are very similar, the accuracy being better with PHCONST. Error sensitivity analysis was used as a means of establishing the influence of a systematic error of an experimental variable on the accuracy of the determination. An algorithm for the accurate calculation of error sensitivities is proposed and checked. Error sensitivities can be used to make a choice between the various minimization functions or to decide if a variable must be included in the optimization process.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1989-01-01 | Analytica Chimica Acta |