Non-empirical calculation of hydration for multi-charged cations

Authors

  • Tolera Seda Badessa PhD Student of Analytical Chemistry department, Voronezh State University, Voronezh, e-mail: toleraseda@yahoo.com
  • Anatoly N. Rodionov Student of Analytical Chemistry department, Voronezh State University, Voronezh
  • Vladimir A. Shaposhnik Dr.Sc., Professor of Analytical Chemistry department, Voronezh State University, Voronezh, e-mail: v.a.shaposhnik@gmail.com

Keywords:

hydration, polyvalent cation, structure, ion exchange membrane, quantum chemical calculation.

Abstract

Ab initio quantum chemical method has been used to calculate the structure and hydration
energy of doubly-and triply charged cations. And the dependences of energy of hydration of ions on their
charges were investigated.

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Published

2019-11-20

Issue

Vol. 13 No. 3 (2013): Sorbtsionnye i Khromatograficheskie Protsessy

Section

Статьи

How to Cite

Non-empirical calculation of hydration for multi-charged cations. (2019). Sorbtsionnye I Khromatograficheskie Protsessy, 13(3). https://journals.vsu.ru/sorpchrom/article/view/1619

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