KEV: A free software for calculating the equilibrium composition and determining the equilibrium constants using UV-Vis and potentiometric data

A N Meshkov; G A Gamov

doi:10.1016/j.talanta.2019.01.107

KEV: A free software for calculating the equilibrium composition and determining the equilibrium constants using UV-Vis and potentiometric data

Talanta. 2019 Jun 1:198:200-205. doi: 10.1016/j.talanta.2019.01.107. Epub 2019 Jan 31.

Authors

A N Meshkov¹, G A Gamov²

Affiliations

¹ Dentsu Aegis Network Russia, Presnenskaya nab. 6/2, 123317 Moscow, Russia. Electronic address: ameshkoff@protonmail.com.
² Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology, Sheremetevskii pr. 10, 153000 Ivanovo, Russia. Electronic address: ggamov@isuct.ru.

PMID: 30876550
DOI: 10.1016/j.talanta.2019.01.107

Abstract

Present paper reports on an algorithm for calculating the equilibrium composition of several compounds mixture if their total (equilibrium) concentrations and the equilibrium constants of reactions between them are known. The algorithm for determining the unknown equilibrium constants from UV-Vis or potentiometric experimental data using minimizing function (maximal likelihood method) is described. The recommendations on the evaluating of equilibrium constants from experimental results are given. The algorithms described are realized as free-of-charge distributed software/scripts bundle/source code.

Keywords: Constant; Equilibrium; Potentiometry; UV–Vis spectroscopy.