Temperature and concentration dependence of effective potentials of Na+ and Cl– ions in aqueous solution
A.P. Klinov, E.A. Zubova, M.A. Mazo
N.N. Semenov Institute of Chemical Physics RAS
Abstract: We have derived effective potentials of Na+ and Cl– ions in implicit water at temperatures from 273 to 340 K and concentrations between 0,3 and 1 M. We divide the potentials into two parts: slowly decreasing Coulomb function and solvation energy. The primary dependence of the effective potentials on the parameters proved to be in the dependence on them of the dielectric constant. Slight temperature dependence of the solvation is present for the pairs Na+ – Na+ and Na+ – Cl– only.
Keywords: effective ion potentials, coarse-grained model, temperature dependence, concentration dependence.
Klinov, A.P. Temperature and concentration dependence of effective potentials of Na+ and Cl– ions in aqueous solution / A.P. Klinov, E.A. Zubova, M.A. Mazo // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2017. – I. 9. – P. 230-235.
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