MATHEMATICAL ANALYSIS OF THE FORM OF IMPURITY AND REACTION MECHANISM IN THE CHEMICAL PURIFICATION PROCESS
Rubrics: 1. CHEMISTRY
Authors:
1.
Nauchnyy centr «Malotonnazhnaya himiya» (NC MTH)
2.
AO Nauchnyy centr «Malotonnazhnaya himiya»
3.
AO Nauchnyy centr «Malotonnazhnaya himiya»
4.
Nauchnyy centr «Malotonnazhnaya himiya» (NC MTH)
5.
Kazanskiy nacional'nyy issledovatel'skiy tehnologicheskiy universitet
Type:
Article
Pages:
from 23
to 27
Status:
Published
Received:
31.01.2026
Accepted:
31.01.2026
Published:
31.01.2026
Language:
Russian
Keywords:
CHEMICAL PURIFICATION, PROCESS KINETICS, STATISTICAL ANALYSIS, HIGH-PURITY SUBSTANCES
Abstract:
A comprehensive study was conducted on the theoretical and practical improvement of chemical purification methods for substances. The core of the work is the goal of increasing separation efficiency through targeted chemical transformation of impurities, which fundamentally alters their properties and facilitates their removal at a subsequent physicochemical stage. Despite their widespread practical application, fundamental studies on the mathematical modeling of such processes are virtually absent in the literature. Therefore, the main areas of research outlined in this article include the development of new methods for analyzing the reaction mechanism and chemical form of impurities, as well as the creation of kinetic models that adequately describe the change in the chemical transformation mechanism upon transition from macro- to microconcentrations. The paper presents in detail a statistical method developed by the authors for identifying the reaction mechanism using equilibrium data. The method is based on the hypothesis of a constant equilibrium constant. Using the example of recycled aluminum butoxide purification from iron impurities using formic acid, this paper demonstrates how the most probable impurity is statistically selected from three possible forms, significantly reducing the amount of labor-intensive experimental studies. The second part of the article is devoted to the analysis of kinetic data from the purification processes. A key phenomenon was experimentally established and theoretically substantiated: when a certain threshold impurity concentration is reached, a sudden change in kinetic parameters is observed. This indicates a change in the rate-limiting step or reaction mechanism, which is often associated with a change in the degree of reagent association or the onset of the formation of spatial polymer structures. The proposed kinetic models, which take this transition into account, allow for a more accurate description and optimization of deep purification processes, which has important practical implications for industries requiring ultra-pure materials.
A comprehensive study was conducted on the theoretical and practical improvement of chemical purification methods for substances. The core of the work is the goal of increasing separation efficiency through targeted chemical transformation of impurities, which fundamentally alters their properties and facilitates their removal at a subsequent physicochemical stage. Despite their widespread practical application, fundamental studies on the mathematical modeling of such processes are virtually absent in the literature. Therefore, the main areas of research outlined in this article include the development of new methods for analyzing the reaction mechanism and chemical form of impurities, as well as the creation of kinetic models that adequately describe the change in the chemical transformation mechanism upon transition from macro- to microconcentrations. The paper presents in detail a statistical method developed by the authors for identifying the reaction mechanism using equilibrium data. The method is based on the hypothesis of a constant equilibrium constant. Using the example of recycled aluminum butoxide purification from iron impurities using formic acid, this paper demonstrates how the most probable impurity is statistically selected from three possible forms, significantly reducing the amount of labor-intensive experimental studies. The second part of the article is devoted to the analysis of kinetic data from the purification processes. A key phenomenon was experimentally established and theoretically substantiated: when a certain threshold impurity concentration is reached, a sudden change in kinetic parameters is observed. This indicates a change in the rate-limiting step or reaction mechanism, which is often associated with a change in the degree of reagent association or the onset of the formation of spatial polymer structures. The proposed kinetic models, which take this transition into account, allow for a more accurate description and optimization of deep purification processes, which has important practical implications for industries requiring ultra-pure materials.
Keywords:
CHEMICAL PURIFICATION, PROCESS KINETICS, STATISTICAL ANALYSIS, HIGH-PURITY SUBSTANCES
CHEMICAL PURIFICATION, PROCESS KINETICS, STATISTICAL ANALYSIS, HIGH-PURITY SUBSTANCES
