Influence of the tye f titration of data treatment of methods on metal complexing parametrs determination of single and multi-ligand systems measured bystripping voltammetry

摘要

A set of simultedexperiments was anlaysed in order to compare the influence of the titration type an of data treatment methods on the accuracy f metal complexing parameters determinationof one- and two-ligand systems.The simulated data corresponded to those obtained byanodic stripping voltammetry and were chosen to represetn experiments in linear,logarithmic and decade titration modes.The values of preset complexing parameters for one- and two-ligand systems were chosen to fit into the exted experimetnal rnage.Random noise wasadded to the dataprior to the treatment.Five differetn data treatments were applied:Chau-Buffle,Ruzic-van den Berg and Scatchard linearistions,and non-liner fitting and PROSECE optimisatons.The investigation has shown that even in he case of a one-ligand system,logarithmic and decade titratons are much better ocmpred to the lienar ones.Linearisation methods are in many cases inferior to those using optimisation algorithms.Random noise has a significant influence on theresults of liearisation methods as well.For linearisation methods,in the case of a one-ligand system,high correlation has been found for the confidence interval of the calculated parameters and the difference between teh preset and the calculatedvalues.This correlation is proposed tobeused as an estimation forth eresults quality in real experiments.PROSECE is by far superiorto other mehtods in most of the cases due to its flexible and powerful mathematical background.It is highly recommended as a tool for data treatment.Construction of "contour-graphs" enables error predictionof the calculated complexing parameters.PROSECE is proposed as an orientation and valorisation tool in real samples analyses.