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Thermodynamic Elucidation of the Relationship Chemical Species in Aqueous Soil Extracts—Phytoaccumulation

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Abstract

Trace metals (Mn, Ni, Cu, Zn and Pb) dynamics in the system soil–soil solution—uncultivated grass vegetation was investigated by experimental analytical studies of natural soil samples, uncultivated grass vegetation samples, as well as aqueous soil extracts prepared in laboratory. Additionally, thermodynamic modeling was applied to calculate the trace metals chemical species in these extracts. Two thermodynamic models were used—the classical ion-association model for calculating the inorganic metal species and the Stockholm Humic Model (SHM) accounting for the complexation reactions of trace metals with organic matter. The computer program Visual Minteq was used. Experimental data for the total concentrations of major and trace metals, dissolved organic carbon and pH were used as input data for the calculations. The highest mobility was registered for Mn, followed by Zn and Cu. No mobile Ni and Pb were extracted in water. The metal-organic species with fulvic acids were calculated to be dominant in the case of Cu and Zn, while inorganic species, mainly free ions and carbonates, were the dominant ones for Mn. The highest phytoaccumulation coefficients in the uncultivated grass vegetation were calculated for Cu and Zn, exceeding that of Mn by 1–2 orders of magnitude. Hence, it may be assumed that the domination of metal-organic species of Cu and Zn probably facilitates their phytoaccumulation in the examined vegetation. Despite the high Mn content in the aqueous soil extracts, its phytoavailability was very low, since organic complexes did not dominate for Mn.

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Acknowledgements

This work has been carried out in the framework of the National Science Program “Environmental Protection and Reduction of Risks of Adverse Events and Natural Disasters”, approved by the Resolution of the Council of Ministers № 577/17.08.2018 and supported by the Ministry of Education and Science (MES) of Bulgaria (Agreement № Д01-279/03.12.2021).

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Authors and Affiliations

  1. Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Bl. 11, 1113, Sofia, Bulgaria

    D. Rabadjieva, A. Kovacheva, R. Gergulova, R. Ilieva & S. Tepavitcharova

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  1. D. Rabadjieva
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  2. A. Kovacheva
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  3. R. Gergulova
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  4. R. Ilieva
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  5. S. Tepavitcharova
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Contributions

All authors contributed to the study conception and design. Materials collection, extractions and chemical analysis, were performed by AK, RG and RI. Thermodynamic modeling was performed by RI and DR. The first draft of the manuscript was written by ST and DR and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

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Correspondence to D. Rabadjieva.

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Rabadjieva, D., Kovacheva, A., Gergulova, R. et al. Thermodynamic Elucidation of the Relationship Chemical Species in Aqueous Soil Extracts—Phytoaccumulation. J Solution Chem 53, 594–605 (2024). https://doi.org/10.1007/s10953-023-01313-z

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