Missteps in the Analytical Formula of Smaller-Ion Shell Model

Autor: Yu SUGIMOTO
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Electrochemistry, Vol 89, Iss 2, Pp 215-217 (2021)
Druh dokumentu: article
ISSN: 2186-2451
DOI: 10.5796/electrochemistry.20-00161
Popis: Recently, a smaller-ion shell (SiS) model was developed to describe the electrostatic interaction between ions in solutions (D. Fraenkel, Mol. Phys., 108, 1435 (2010)). The analytical formula based on the SiS model reproduces experimental data very well with only one fitting parameter (namely, ion size parameter, a). However, a numerical simulation of the SiS model does not agree with the analytical formula. This indicates that the analytical formula does not represent the SiS model correctly. Therefore, the ion size parameter (a) obtained by fitting Fraenkel’s analytical formula to the experimental data is physically meaningless.
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