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Chemistry for Sustainable Development

2025 year, number 3

Chemometric approach to the assessment of water composition in the Isakovskoye Reservoir

O. M. ROZENTAL1, G. B. KROKHIN1,2
1Institute of Water Problems, Russian Academy of Sciences, Moscow, Russia
2MIREA - Russian Technological University, Moscow, Russia
Keywords: chemometrics, hydrochemical data series, water quality indicators, Schuchart charts, cointegration

Abstract

The effectiveness of protection and rational use of water resources is reduced due to the difficulties of assessing their quality under the conditions of continuously changing controlled indicators and the uniqueness of such variability. The possibility of solving the arising problems by applying multivariate statistical methods of control, which are common in solving chemometric problems, is considered. By the example of the analysis of the Isakovskoye Reservoir waters (Lugansk People’s Republic), the influence of annual peaks of some pollutants on the increased volatility of the investigated time series was found. The double Schuchart control charts and cointegration tests allowed us to identify the periods of statistical stability of the process and to make an assumption about the active involvement of water pollutants in physical-chemical-biological processes. In particular, the existence of stationary linear combinations of a number of non-stationary (integrated) time series of controlled indicators has been found. The results obtained in the case study of a particular water body show that the methods of chemometrics offer opportunities to obtain the information for deeper understanding of the unique processes occurring in water bodies. This will make it possible to solve one of the main tasks of water-environmental management - to achieve a balance between the needs of water users and the possibility of water resources reproduction by taking optimal water management decisions depending on the current situation.