A STUDY OF THE INFLUENCE OF RELATIVE ACIDITY, NUMBER OF COMPONENTS AND NOISE LEVEL ON THE MULTIVARIATE pH-METRIC DETERMINATION

A STUDY OF THE INFLUENCE OF RELATIVE ACIDITY, NUMBER OF COMPONENTS AND NOISE LEVEL ON THE MULTIVARIATE pH-METRIC DETERMINATION OF WEAK ACIDS USING SIMULATED DATA

Mojtaba Shamsipur,^a^,* Bahram Hemmateenejad,^b and Morteza Akhond^c

^a Department of Chemistry, Razi University, Kermanshah,

^b Medicinal & Natural Products Chemistry Research Center, Shiraz University of

Medical Science, Shiraz, 71345, Iran

^c Department of Chemistry, Shiraz University, Shiraz, Iran

Abstract

A systematic study has been conducted on the effect different factors including relative acidity, number of components and added noise on the simultaneous determination of weak acids by multivariate pH-metric titration. For this purpose, partial least squares (PLS) regression was applied on the simulated pH-metric titration data. Large numbers of acid mixture systems composed of different number of acids with varying acidity strengths were examined. The effect of added noise on the prediction ability of the PLS regression was also studied.

Key words: pH-metry, simultaneous determination, weak acids, relative acidity, components, noise, PLS