Mineral composition modelling of natural surface water

ABSTRACT

We developed a computational environment that allows us to model the mineral composition of natural water according to the elemental and cation-anion content of the sample. The mineral composition modelling of natural water may be considered as the first step of express water monitoring in real-time. The calculated models were experimentally checked using model solutions and natural objects. The integral parameters of simulated water quality are compared with the calculated values and natural water samples. The limitations of the proposed algorithms for the mineral composition modelling of polluted waters have been discussed. For the first time, an automated approach for modelling the mineral and ionic composition of natural water based on the total water quality indicators is proposed. The presented algorithm is intended to be integrated with existing water quality monitoring systems to enhance the capabilities to control the wide range of inorganic ions in freshwaters.

KEYWORDS:

• Water analysis
• computational environment
• river water data
• natural water monitoring
• simulation of solution
• chemical properties of natural water
• Pourbaix diagrams

Code availability

Software developed on this study is available on https://zenodo.org/record/4646738

Disclosure statement

No potential conflict of interest was reported by the author(s).

Supplementary material

Supplemental data for this article can be accessed here.