Temperature and concentration dependence of effective potentials of Na+ and Cl— ions in aqueous solution

Autor:	A.P. Klinov, E.A. Zubova, M.A. Mazo
Jazyk:	ruština
Rok vydání:	2017
Předmět:	effective ion potentials coarse-grained model temperature dependence concentration dependence Physical and theoretical chemistry QD450-801
Zdroj:	Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 9, Pp 230-235 (2017)
Druh dokumentu:	article
ISSN:	2226-4442 2658-4360
DOI:	10.26456/pcascnn/2017.9.230
Popis:	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.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/68e96eca83f34cbea7e0172ae25575c2 Zobrazit plný text záznamu View record in DOAJ