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Quantum-Chemical Modeling of the Interactions of IIA Group Metal Cations with Humic Acids

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Abstract

The thermodynamic characteristics of the reactions of the potassium salts of humic acids with IIA group metal cations were calculated using the PM6 quantum-chemical method. It was found that the interaction of the phenolate anions of humic acids with barium, beryllium, and calcium cations from their chloride solutions is thermodynamically allowed. Recommendations were given for the use of potassium humates as ion-exchange agents in order to reduce water hardness.

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REFERENCES

  1. Yarkova, T.A., Usp. Khim. Khim. Tekhnol., 2008, vol. 22, no. 3 (83), p. 46.

  2. Yarkova, T.A., Cand. Sci. (Chem.) Dissertation, Moscow: Russ. Chem. Technol. Univ., 2007.

  3. Gebler, I.V. and Stramkovskaya, K.K., Izv. Tomsk. Politekhn. Inst., 1956, vol. 83, p. 240.

    Google Scholar 

  4. Lishtvan, I.I., Kaputskii, F.N., Yanuta, Yu.G., Abramets, A.M., Monich, G.S., Strigutskii, V.P., Glukhova, N.S., and Aleinikova, V.N., Vestn. Bel. Gos. Univ., Ser. 2, Khim. Biol. Geogr., 2012, no. 2, p. 12.

  5. Yarkova, T.A. and Gyul’maliev, A.M., Solid Fuel Chem., 2012, vol. 46, no. 5, p. 278. https://doi.org/10.3103/S0361521912050138

    Article  CAS  Google Scholar 

  6. Martynenko, S.V., Stekol’nikov, K.E., Kotov, V.V., and Selemenev, V.F., Sorbts. Khromatogr. Prots., 2003, vol. 3, no. 2, p. 199.

    Google Scholar 

  7. Yarkova, T.A. and Gyul’maliev, A.M., Solid Fuel Chem., 2011, vol. 45, no. 4, p. 261. https://doi.org/10.3103/S0361521911040136

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Plekhanov Russian University of Economics, 117997, Moscow, Russia

    T. A. Yarkova

  2. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119071, Moscow, Russia

    A. M. Gyul’maliev

Authors
  1. T. A. Yarkova
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  2. A. M. Gyul’maliev
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Corresponding authors

Correspondence to T. A. Yarkova or A. M. Gyul’maliev.

Additional information

Translated by V. Makhlyarchuk

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Yarkova, T.A., Gyul’maliev, A.M. Quantum-Chemical Modeling of the Interactions of IIA Group Metal Cations with Humic Acids. Solid Fuel Chem. 55, 8–13 (2021). https://doi.org/10.3103/S0361521921010109

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  • DOI: https://doi.org/10.3103/S0361521921010109

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